3-Chloropyridazine → 5-(4-Chloro-phenyl)-1-phenyl-6-(4-pyridazin-3-yl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

Reaction equation

[Cl:1][c:2]1[n:3][n:4][cH:5][cH:6][cH:7]1.[Cl:8][c:9]1[cH:10][cH:11][c:12](-[n:15]2[c:16](-[c:31]3[cH:32][cH:33][c:34]([B:37]4[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]4)[cH:35][cH:36]3)[n:17][c:18]3[c:19]([c:20]2=[O:21])[cH:22][n:23][n:24]3-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:13][cH:14]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31](-[c:16]3[n:15](-[c:12]4[cH:11][cH:10][c:9]([Cl:8])[cH:14][cH:13]4)[c:20](=[O:21])[c:19]4[c:18]([n:17]3)[n:24](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:23][cH:22]4)[cH:36][cH:35]2)[n:3][n:4][cH:5][cH:6][cH:7]1

Participants

Reactant 2

HCID 112749893-Chloropyridazine

HCID 578979725-(4-Chloro-phenyl)-1-phenyl-6-[4-(4,4,5,5-tetramethyl [1,3,2]dioxaborolan-2-yl)-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

Product 1

HCID 578980095-(4-Chloro-phenyl)-1-phenyl-6-(4-pyridazin-3-yl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

Sources & evidence

ORD record: ord-d6f2fa0dc5f14b40a15c58733e970722
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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