Water → HCID 178495407, compound
Reaction equation
[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:1][C:2]([N:3]([CH3:4])[CH3:5])=[C:6]([CH3:7])[CH3:8].[Cl:57][CH2:58][Cl:59].[NH2:38][c:39]1[n:40][n:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[cH:42][cH:43]1.[O:9]=[S:10]1(=[O:37])[NH:11][CH2:12][CH2:13][O:14][c:15]2[c:16]1[cH:17][cH:18][c:19]([O:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]([O:31][CH:32]([CH2:33][O:34][CH3:35])[CH3:36])[cH:30]1)[cH:20]2.[OH2:66].[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[O:9]=[S:10]1(=[O:37])[NH:11][CH2:12][CH2:13][O:14][c:15]2[c:16]1[cH:17][cH:18][c:19]([O:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[NH:38][c:39]3[n:40][n:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[cH:42][cH:43]3)[cH:28][c:29]([O:31][CH:32]([CH2:33][O:34][CH3:35])[CH3:36])[cH:30]1)[cH:20]2Participants
8
Sources & evidence
- ORD record
- ord-0a9cc73b4fbd4e59a20a42a5ad3cb62f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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