Hydrochloric Acid → 1-(3-Chloro-4-fluoroanilino)-4-(4-pyridylmethyl)phthalazine
Reaction equation
[CH2:2]([N:3]([CH2:4][CH3:5])[CH2:6][CH3:7])[CH3:8].[Cl:39][CH2:40][Cl:41].[Cl:9][c:10]1[cH:11][c:12]([NH2:13])[cH:14][cH:15][c:16]1[F:17].[ClH:1].[Na+:37].[OH-:36].[OH2:38].[n:18]1[cH:19][cH:20][c:21]([CH2:24][c:25]2[n:26][nH:27][c:28](=[O:35])[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[cH:22][cH:23]1>>[Cl:9][c:10]1[cH:11][c:12]([NH:13][c:28]2[n:27][n:26][c:25]([CH2:24][c:21]3[cH:20][cH:19][n:18][cH:23][cH:22]3)[c:34]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[cH:14][cH:15][c:16]1[F:17]Participants
9
Sources & evidence
- ORD record
- ord-75dc46519e0b47d09a2cb1963646cb9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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