Acetic Acid → HCID 54406405, compound

HRID 146697Notes

Reaction equation

HRID 146697 reaction equation
[C:22](=[O:23])([O-:24])[OH:25].[CH3:43][C:44](=[O:45])[OH:46].[CH:35](=[CH2:36])[c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[Na+:26].[Na+:33].[Na+:34].[S:27]([S:28]([O-:29])=[O:30])([O-:31])=[O:32].[SH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([S:18]([NH2:19])(=[O:20])=[O:21])[c:10]1[O:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[S:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([S:18]([NH2:19])(=[O:20])=[O:21])[c:10]1[O:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:36][CH2:35][c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1086DithioniteHCID 75024-VinylpyridineHCID 21520079HCID 21520079, compound

Product 1

HCID 54406405HCID 54406405, compound

Sources & evidence

ORD record
ord-cbd02aa131754679ba3009e149f99320
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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