Acetic Acid → HCID 178441058, compound
Reaction equation
[C:48]([OH:49])(=[O:50])[CH3:51].[CH3:45][OH:46].[Cl:42][CH2:43][Cl:44].[ClH:36].[NH2:37][NH:38][C:39]([NH2:40])=[NH:41].[NH:1]1[C:2]([NH:6][N:7]=[C:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH:20]([NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[C:32](=[O:33])[OH:34])[cH:15][cH:16]2)[CH3:35])=[N:5][CH2:4][CH2:3]1.[OH2:47]>>[N:1](=[CH:2][NH:6][N:7]=[C:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH:20]([NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[C:32](=[O:33])[OH:34])[cH:15][cH:16]1)[CH3:35])[NH2:37]Participants
8
Sources & evidence
- ORD record
- ord-0e65913cfbee4ee4864d31cd144561bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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