Ethanol → 2,3,4,5-Tetrahydro-1,4-benzoxazepine
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]([cH:15][cH:16][cH:17][cH:18]2)[CH2:14]1.[CH3:40][CH2:41][OH:42].[OH:19][CH2:20][c:21]1[cH:22][c:23]2[c:24]([cH:25][cH:26]1)[c:27]([NH:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[n:37][cH:38][cH:39]2.[Pd:43]>>[NH:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]([cH:15][cH:16][cH:17][cH:18]2)[CH2:14]1Participants
5
Sources & evidence
- ORD record
- ord-735e66407ce74c4e90fb2e7d24682895
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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