Acetate → 1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine-3-oxide
Reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH3:42][C:43](=[O:44])[O-:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[n:8][n:9][c:10]([CH2:17][c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:24][cH:25]1.[Na+:41].[OH:26][O:27][C:28]([c:29]1[cH:30][c:31]([Cl:32])[cH:33][cH:34][cH:35]1)=[O:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[n:8][n+:9]([O-:26])[c:10]([CH2:17][c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:24][cH:25]1Participants
6
Sources & evidence
- ORD record
- ord-968b615b67c64a969e3b4a4951f45143
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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