Acetic Acid → HCID 57799736, compound
Reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[Cl:10][c:11]1[n:12][c:13]([NH:21][c:22]2[n:23][nH:24][c:25]([CH3:27])[cH:26]2)[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12.[H-:2].[Na+:1].[SH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[S:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:11]1[n:12][c:13]([NH:21][c:22]2[n:23][nH:24][c:25]([CH3:27])[cH:26]2)[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12Participants
7
Sources & evidence
- ORD record
- ord-383c5a7dc7ea4514b6a12424a28c7c2e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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