Water → HCID 22903480, compound
Reaction equation
[CH3:40][S:41]([Cl:42])(=[O:43])=[O:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH2:7][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]([O:27][CH2:28][CH2:29][OH:30])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[cH:17][cH:18]1)=[O:32].[OH2:45].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[CH2:7][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]([O:27][CH2:28][CH2:29][O:30][S:41]([CH3:40])(=[O:43])=[O:44])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[cH:17][cH:18]1)=[O:32]Participants
5
Sources & evidence
- ORD record
- ord-9dcf1a9eabc04aca9651e1f5bfc37aab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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