tert-Butyl isocyanate → N-tert-butyl-4-[2-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)anilino]ethoxy]piperidine-1-carboxamide
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH3:35])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([NH:17][CH2:18][CH2:19][O:20][CH:21]4[CH2:22][CH2:23][N:24]([C:27]([O:29][C:28]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:25][CH2:26]4)[cH:15][cH:16]3)[o:10]2)[cH:34]1.[C:36]([CH3:37])([CH3:38])([CH3:39])[N:40]=[C:41]=[O:42]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH3:35])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([NH:17][CH2:18][CH2:19][O:20][CH:21]4[CH2:22][CH2:23][N:24]([C:27](=[O:29])[NH:40][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:25][CH2:26]4)[cH:15][cH:16]3)[o:10]2)[cH:34]1Participants
3
Sources & evidence
- ORD record
- ord-36980a77c7a8485891f9d872ca39b182
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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