Water → HCID 18381660, compound
Reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][S:36]([Cl:37])(=[O:38])=[O:39].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:27])[c:7]1[CH2:8][C:9]1=[N:10][NH:11][CH:12]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:13]2[cH:14][c:15]([O:19][CH3:20])[cH:16][cH:17][c:18]21.[Cl:51][CH2:52][Cl:53].[N:40]12[CH2:41][CH2:42][CH2:43][N:44]=[C:45]1[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2.[OH2:54]>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:27])[c:7]1[CH2:8][C:9]1=[N:10][N:11]([S:36]([CH3:35])(=[O:38])=[O:39])[CH:12]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:13]2[cH:14][c:15]([O:19][CH3:20])[cH:16][cH:17][c:18]21Participants
7
Sources & evidence
- ORD record
- ord-ad0bf0189e2d4bd48e0ab5e650f99a21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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