Acetic Acid → 8-(4-((dimethylamino)methyl)phenyl)-9-(4-fluorophenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
Reaction equation
[C:37]([BH3-:38])#[N:39].[CH3:30][NH:31][CH3:32].[CH3:33][C:34](=[O:35])[OH:36].[CH3:41][OH:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([c:22]3[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]3)[NH:10][c:11]3[c:12]4[c:13]2[n:14][nH:15][c:16](=[O:21])[c:17]4[cH:18][cH:19][cH:20]3)[cH:6][cH:7]1.[Na+:40]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([c:22]3[cH:23][cH:24][c:25]([CH2:26][N:31]([CH3:30])[CH3:32])[cH:28][cH:29]3)[NH:10][c:11]3[c:12]4[c:13]2[n:14][nH:15][c:16](=[O:21])[c:17]4[cH:18][cH:19][cH:20]3)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-78e3164661ad4993bb821420d02afe37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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