Water → HCID 67426693, compound
Reaction equation
[CH3:1][C:2]1([CH3:22])[C:3](=[O:21])[N:4]([CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:5]2[cH:6][c:7]3[c:8]([cH:9][c:10]21)[nH:11][c:12]([NH:14][CH3:15])[n:13]3.[CH3:23][c:24]1[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[Cl:33])[cH:28][cH:29]1.[OH2:34].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[CH3:1][C:2]1([CH3:22])[C:3](=[O:21])[N:4]([CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:5]2[cH:6][c:7]3[c:8]([cH:9][c:10]21)[n:11]([S:30]([c:27]1[cH:26][cH:25][c:24]([CH3:23])[cH:29][cH:28]1)(=[O:31])=[O:32])[c:12]([NH:14][CH3:15])[n:13]3Participants
5
Sources & evidence
- ORD record
- ord-c35833282b6c46179d040f3dbe6cdd96
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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