Phenyl isocyanate → tert-butyl 6-{2-[(anilinocarbonyl)amino]ethyl}-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
Reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[NH2:1][CH2:2][CH2:3][n:4]1[c:5]2[c:6]([c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]13)[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2.[O:25]=[C:26]=[N:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[NH:1]([CH2:2][CH2:3][n:4]1[c:5]2[c:6]([c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]13)[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[C:26](=[O:25])[NH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1Participants
4
Sources & evidence
- ORD record
- ord-bcc93bf641a247029b26ecf12bbc1841
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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