Acetic Acid → HCID 178493066, compound
Reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH3:24][O:25][c:26]1[cH:27][c:28]([NH2:29])[cH:30][c:31]([O:35][CH3:36])[c:32]1[O:33][CH3:34].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][nH:11][cH:12][c:13]2-[c:14]2[n:15][c:16]([S:20]([CH3:21])(=[O:22])=[O:23])[n:17][cH:18][cH:19]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][nH:11][cH:12][c:13]2-[c:14]2[n:15][c:16]([NH:29][c:28]3[cH:27][c:26]([O:25][CH3:24])[c:32]([O:33][CH3:34])[c:31]([O:35][CH3:36])[cH:30]3)[n:17][cH:18][cH:19]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-bd080c60589f422aa452b9bc48a8879f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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