Water → HCID 58724508, compound
Reaction equation
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[NH2:49][NH2:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:48].[OH2:56].[c:31]1([S:37](=[O:38])(=[O:39])[Cl:40])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[nH:1]1[c:2]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]3[nH:14][c:15]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]5[c:28]([cH:29][cH:30]4)[CH2:27][NH:26][CH2:25][CH2:24]5)[n:16][c:17]23)[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]3[nH:14][c:15]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]5[c:28]([cH:29][cH:30]4)[CH2:27][N:26]([S:37]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)(=[O:38])=[O:39])[CH2:25][CH2:24]5)[n:16][c:17]23)[nH:3][cH:4][cH:5]1Participants
7
Sources & evidence
- ORD record
- ord-6fcc994aa6334cb3bcdad643244df978
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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