Water → 1,4-Dihydro-2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(11-aminoundecyloxy)carbonyl-pyridine
Reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][N:35]2[C:36](=[O:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[C:44]2=[O:45])=[C:4]([CH3:46])[NH:3]1.[NH2:48][NH2:49].[OH2:47]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[C:5]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][NH2:35])=[C:4]([CH3:46])[NH:3]1Participants
4
Sources & evidence
- ORD record
- ord-8b9a987bfffc4dcd9fb370636e9dc8dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)