1,2-Dichloroethane → 3-tert-butoxycarbonyl-6-(4-tert-butylcarbamoyl-3-fluorobenzylthio)-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][CH2:21][c:22]3[cH:23][c:24]([F:31])[c:25]([C:28](=[O:29])[OH:30])[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:32][C:33]([CH3:34])([CH3:35])[NH2:36].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]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:22]3[cH:23][c:24]([F:31])[c:25]([C:28](=[O:29])[NH:36][C:33]([CH3:32])([CH3:34])[CH3:35])[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-821e5f5d2948473d9aef3f2fb2423b25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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