Acetic Acid → HCID 178489610, compound
Reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[CH:44]([N:45]([CH3:46])[CH3:47])=[O:48].[Cl:1][c:2]1[c:3]([O:27][c:28]2[c:29]([O:34][CH3:35])[cH:30][cH:31][cH:32][cH:33]2)[c:4]([NH:16][S:17](=[O:18])(=[O:19])[c:20]2[n:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]2)[n:5][c:6](-[c:8]2[cH:9][c:10]([C:14]#[N:15])[n:11][cH:12][cH:13]2)[n:7]1.[NH2:37][NH2:38].[OH2:36].[OH2:39]>>[Cl:1][c:2]1[c:3]([O:27][c:28]2[c:29]([O:34][CH3:35])[cH:30][cH:31][cH:32][cH:33]2)[c:4]([NH:16][S:17](=[O:18])(=[O:19])[c:20]2[n:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]2)[n:5][c:6](-[c:8]2[cH:9][c:10]([C:14](=[NH:15])[NH:37][NH2:38])[n:11][cH:12][cH:13]2)[n:7]1Participants
6
Sources & evidence
- ORD record
- ord-a0371b3ae6bc4540abe275c1b722503c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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