4-Fluorophenyl isocyanate → 1-(4-Fluorophenyl)-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]-pyridazin-3-YL}urea

HRID 120793

Reaction equation

HRID 120793 reaction equation
[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[O:10])[cH:6][cH:7]1.[NH2:11][c:12]1[cH:13][cH:14][c:15]([N:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[c:26]3[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]3)[CH2:22][CH2:23]2)[n:16][n:17]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([C:24](=[O:25])[c:26]4[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]4)[CH2:22][CH2:23]3)[n:16][n:17]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 709554-Fluorophenyl isocyanateHCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

Product 1

HCID 114431811-(4-Fluorophenyl)-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]-pyridazin-3-YL}urea

Sources & evidence

ORD record
ord-cca56e7d1a994abc86a7282be5b5c0be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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