Bromide ion → 3-Methyl-1-(3-(6-(4-phenoxyphenylamino)pyrimidin-4-ylamino)phenyl)but-2-en-1-one
Reaction equation
[Br-:34].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][O:2][N:3]([C:4]([c:5]1[cH:6][c:7]([NH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:18][c:19]3[cH:20][cH:21][c:22]([O:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:23][cH:24]3)[cH:17]2)[cH:8][cH:9][cH:10]1)=[O:32])[CH3:33].[CH3:35][C:36](=[CH:37][Mg+:38])[CH3:39]>>[C:4]([c:5]1[cH:6][c:7]([NH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:18][c:19]3[cH:20][cH:21][c:22]([O:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:23][cH:24]3)[cH:17]2)[cH:8][cH:9][cH:10]1)(=[O:32])[CH:37]=[C:36]([CH3:35])[CH3:39]Participants
5
Sources & evidence
- ORD record
- ord-fd40d56ab77a4fb5a6ffd41be6093ff9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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