4-(Chloromethyl)phenyl acetate → 6-(4-acetoxybenzylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[C:26]([CH3:27])(=[O:28])[O:29][c:30]1[cH:31][cH:32][c:33]([CH2:36][Cl:37])[cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:21][c:33]3[cH:32][cH:31][c:30]([O:29][C:26]([CH3:27])=[O:28])[cH:35][cH:34]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
3
Sources & evidence
- ORD record
- ord-e0a34eca8a704da2a1e19efbed2da645
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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