Dimethyl Sulfoxide → 3-tert-butoxycarbonyl-7-chloro-6-(2,2-difluoro-2-phenyl-ethylthio)-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]([SH:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:47][S:48]([CH3:49])=[O:50].[F:28][C:29]([F:30])([F:31])[S:32]([O:33][CH2:34][C:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([F:42])[F:43])(=[O:44])=[O:45].[OH2:46]>>[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][CH2:34][C:35]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)([F:42])[F:43])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
6
Sources & evidence
- ORD record
- ord-3164bf3d7f194e93893f9c92779de957
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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