substituting chemical atomic numbers using sed - sed

Question

I am trying to substitute some patterns of atomic numbers in a single file. That file contain a series of atomic numbers in a column as shown in the first column. Now I want to substitute the first column of numbers with the series of numbers as in the second column line after line.
C1 C21
C2 C22
C4 C23
C5 C24
C6 C25
C7 C26
C8 C27
C9 C28
C10 C29
C11 C30
C12 C31
C13 C32
C14 C33
O1 O11
O2 O12
O3 O13
O4 O14
O5 O15
O6 O16
H1 H31
H2 H32
H3 H33
H4 H34
H5 H35
H6 H36
H7 H37
H8 H38
H9 H39
H10 H40
H11 H41
H12 H42
H13 H43
H14 H44
H15 H45
H16 H46
H17 H47
H18 H48
H19 H49
H20 H50
H21 H51
H22 H52
H23 H53
H24 H54
H25 H55
H26 H56
H27 H57
H28 H58
To achieve this I tried the sed command as below
sed -i -e 's/C1/C21/;s/C2/C22/;s/C3/C23/;s/C4/C24/;s/C5/C25/;s/C6/C26/;s/C7/C27/;s/C8/C28/;s/C9/C29/;s/C10/C30/;s/C11/C31/;s/C12/C32/;s/C13/C33/;s/C14/C34/;s/O1/O11/;s/O2/O12/;s/O3/O13/;s/O4/O14/;s/O5/O15/;s/O6/O16/;s/H1/H31/;s/H2/H32/;s/H3/H33/;s/H4/H34/;s/H5/H35/;s/H6/H36/;s/H7/H37/;s/H8/H38/;s/H9/H39/;s/H10/H40/;s/H11/H41/;s/H12/H42/;s/H13/H43/;s/H14/H44/;s/H15/H45/;s/H16/H46/;s/H17/H47/;s/H18/H48/;s/H19/H49/;s/H20/H50/;s/H21/H51/;s/H22/H52/;s/H23/H53/;s/H24/H54/;s/H25/H55/;s/H26/H56/;s/H27/H57/;s/H28/H58/' FILE_NAME
Unfortunately, what I get is multiple substitutions like C3328 and so on.
Can anyone help me to address the correct way of doing this? Appreciate in advance.

Answer 1

It's still not clear but I THINK this is what you want:
$ cat tst.awk
BEGIN { cnt["C"]=21; cnt["O"]=11; cnt["H"]=31 }
NF { c=substr($0,1,1); $0=c cnt[c]++ }
{ print }
.
$ awk -f tst.awk file
C21
C22
C23
C24
C25
C26
C27
C28
C29
C30
C31
C32
C33
O11
O12
O13
O14
O15
O16
H31
H32
H33
H34
H35
H36
H37
H38
H39
H40
H41
H42
H43
H44
H45
H46
H47
H48
H49
H50
H51
H52
H53
H54
H55
H56
H57
H58

Answer 2

The problem is that sed will attempt to carry out all substitutions in order, which results in multiple substitutions. So you need to rearrange your substitutions from most specific to least specific. For example:
echo "C1" | sed -n 's/C1/C21/p; s/C2/C22/p; s/C3/C23/p'
C21
C221
echo "C1" | sed -n 's/C3/C23/p; s/C2/C22/p; s/C1/C21/p'
C21

Answer 3

put [^0-9] after each pattern should work fine, to automate this process:
awk '$0{printf("s/%s\\([^0-9]\\)/%s\\1/g\n", $1, $2)}' <pattern-file >sedscr
run this one-liner for the pattern file, cat sedscr, then you would get:
s/C1\([^0-9]\)/C21\1/g
s/C2\([^0-9]\)/C22\1/g
s/C4\([^0-9]\)/C23\1/g
...
after that you run sed with the generated script for your sample files.
sed -f sedscr sample-files...