Acetone → (5-Allyl-6,7-dimethoxy-quinazolin-4-yl)-(3-chloro-4-fluoro-phenyl)-amine
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]2[c:6]([NH:17][c:18]3[cH:19][c:20]([Cl:25])[c:21]([F:24])[cH:22][cH:23]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]([O:15][CH3:16])[c:13]1[OH:14].[CH3:32][I:33].[CH3:34][C:35](=[O:36])[CH3:37].[K+:26].[K+:27].[O-:28][C:29]([O-:30])=[O:31]>>[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]2[c:6]([NH:17][c:18]3[cH:19][c:20]([Cl:25])[c:21]([F:24])[cH:22][cH:23]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]([O:15][CH3:16])[c:13]1[O:14][CH3:29]Participants
6
Sources & evidence
- ORD record
- ord-8bdfc53af5644242af9ee52990606216
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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