Water → HCID 22903525, compound
Reaction equation
[CH3:34][S:35]([Cl:36])(=[O:37])=[O:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH:7]([CH2:30][CH2:31][OH:32])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29].[OH2:39].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH:7]([CH2:30][CH2:31][O:32][S:35]([CH3:34])(=[O:37])=[O:38])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29]Participants
5
Sources & evidence
- ORD record
- ord-8d7816bc1d984c08bd67c33e288ee39d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)