Water → HCID 17454592, compound
Reaction equation
[CH3:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:11][c:12]1[c:13]([S:21]([NH2:22])(=[O:23])=[O:24])[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH3:9])[NH2:10])[cH:5][cH:6][cH:7]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:57].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH3:9])[NH:10][C:16]([c:15]2[cH:14][c:13]([S:21]([NH2:22])(=[O:23])=[O:24])[c:12]([Cl:11])[cH:20][cH:19]2)=[O:17])[cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-3352e9082de24df2906a9ed9b3fc0534
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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