Water → HCID 58124920, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:30])[c:7]2[c:8]([cH:9][c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:24][CH3:25])[c:17]([S:20](=[O:21])[CH2:22][CH3:23])[cH:18][c:19]2-3)[CH2:26][CH2:27][CH2:28][CH2:29]1.[O:31]=[C:32]1[N:33]([Br:38])[C:34](=[O:35])[CH2:36][CH2:37]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:30])[c:7]2[c:8]([c:9]([Br:38])[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:24][CH3:25])[c:17]([S:20](=[O:21])[CH2:22][CH3:23])[cH:18][c:19]2-3)[CH2:26][CH2:27][CH2:28][CH2:29]1Participants
5
Sources & evidence
- ORD record
- ord-22f5cdd9a498433ab40bc8c01cd75522
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)