Ammonium → 3-(2-Bromoethyl)-7-chloro-5-cyclopropylethynyl-1,5-dihydro-5-(trifluoromethyl)-4,1-benzoxazepin-2(3H)-one
Reaction equation
[Br:1][CH2:2][CH2:3][CH:4]1[C:5](=[O:34])[N:6]([CH2:25][c:26]2[cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32][cH:33]2)[c:7]2[c:8]([cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[C:9]([C:11]([F:12])([F:13])[F:14])([C:15]#[C:16][CH:17]2[CH2:18][CH2:19]2)[O:10]1.[CH3:41][C:42]#[N:43].[NH4+:36].[O-:37][N+:38](=[O:39])[O-:40].[OH2:35]>>[Br:1][CH2:2][CH2:3][CH:4]1[C:5](=[O:34])[NH:6][c:7]2[c:8]([cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[C:9]([C:11]([F:12])([F:13])[F:14])([C:15]#[C:16][CH:17]2[CH2:18][CH2:19]2)[O:10]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-21fcfab3d36e4490ab5d37a55e880527
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…