Water → HCID 12087763, compound
Reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:31][c:32]1[c:33]([C:34](=[O:35])[Cl:36])[cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]1.[NH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][C:14]23[CH2:15][CH:16]4[CH2:17][CH:18]([CH2:19][CH:20]([CH2:21]2)[CH2:22]4)[CH2:23]3)[n:11][cH:12]1.[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:44]>>[NH:6]([c:7]1[cH:8][cH:9][c:10]([O:13][C:14]23[CH2:15][CH:16]4[CH2:17][CH:18]([CH2:19][CH:20]([CH2:21]2)[CH2:22]4)[CH2:23]3)[n:11][cH:12]1)[C:34]([c:33]1[c:32]([Cl:31])[cH:40][cH:39][c:38]([N+:41](=[O:42])[O-:43])[cH:37]1)=[O:35]Participants
6
Sources & evidence
- ORD record
- ord-983939cd69f5441582c54c337dfa851b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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