Phenyl isocyanate → 1-(1-tert-butylcarbonylmethyl-2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-phenylurea
Reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[C:14](=[O:15])[CH2:16][N:17]1[C:18](=[O:35])[CH:19]([NH2:34])[CH2:20][N:21]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2.[O:1]=[C:2]=[N:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:34][CH:19]1[C:18](=[O:35])[N:17]([CH2:16][C:14]([C:10]([CH3:11])([CH3:12])[CH3:13])=[O:15])[c:23]2[c:22]([cH:27][cH:26][cH:25][cH:24]2)[N:21]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:20]1Participants
4
Sources & evidence
- ORD record
- ord-b860c98c9c514a5fa959ecda4b8458ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…