Chloride → 1-Benzyl-2,3,9,10,11,12-hexahydro-3-methyl-1H-quino[4,3,2-ef][1,4]benzoxazepine
Reaction equation
[Al+3:2].[Al+3:8].[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[N:18]1[C:19](=[O:37])[CH:20]([CH3:36])[O:21][c:22]2[c:23]3[c:24]1[c:25]1[c:30]([n:31][c:32]3[cH:33][cH:34][cH:35]2)[CH2:29][CH2:28][CH2:27][CH2:26]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl-:10].[Cl-:7].[Cl-:9].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[Na+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:38]>>[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[N:18]1[CH2:19][CH:20]([CH3:36])[O:21][c:22]2[c:23]3[c:24]1[c:25]1[c:30]([n:31][c:32]3[cH:33][cH:34][cH:35]2)[CH2:29][CH2:28][CH2:27][CH2:26]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-4598abf3d9cc4c3ebf9215913d407cb3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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