Acetone → 4-[[[4-(hexahydro-1H-azepin-1-yl)-phenyl]-sulphonyl]-amino]-3-hydroxy butanoic acid
Reaction equation
[CH3:18][C:19](=[O:20])[CH3:21].[N:1]1([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[Cl:17])[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[N:30]12[CH2:31][CH2:32][N:33]([CH2:34][CH2:35]1)[CH2:36][CH2:37]2.[OH2:38].[OH:22][CH:23]([CH2:24][C:25](=[O:26])[OH:27])[CH2:28][NH2:29]>>[N:1]1([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[NH:29][CH2:28][CH:23]([OH:22])[CH2:24][C:25](=[O:26])[OH:27])[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1Participants
6
Sources & evidence
- ORD record
- ord-a53b05c817be4752a3eeb95743f40867
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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