7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine → 6-[3-(3-tert-butyl-2-oxo-imidazolidin-1-yl)-prop-1-ynyl]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[N:31]1[C:32](=[O:39])[N:33]([CH2:36][C:37]#[CH:38])[CH2:34][CH2:35]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2>>[Cl:1][c:2]1[c:3]([C:38]#[C:37][CH2:36][N:33]2[C:32](=[O:39])[N:31]([C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:35][CH2:34]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-fa671fdcacfd4d04a960d6cf344412f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)