Water → HCID 178429787, compound
Reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:1][C:2]1([CH3:25])[CH2:3][S:4][CH:5]2[N:6]([CH:7]1[C:8](=[O:9])[OH:10])[C:11](=[O:24])[CH:12]2[NH:13][C:14]([CH2:15][O:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23].[N+:26](=[O:27])([O-:28])[c:29]1[cH:30][cH:31][c:32]([CH2:33][Br:34])[cH:35][cH:36]1.[OH2:44]>>[Cl:1][C:2]1([CH3:25])[CH2:3][S:4][CH:5]2[N:6]([CH:7]1[C:8](=[O:9])[O:10][CH2:33][c:32]1[cH:31][cH:30][c:29]([N+:26](=[O:27])[O-:28])[cH:36][cH:35]1)[C:11](=[O:24])[CH:12]2[NH:13][C:14]([CH2:15][O:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23]Participants
6
Sources & evidence
- ORD record
- ord-5f7a9c83284a4251818ad79c74e80f42
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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