Water → (8-fluoro-4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)(4-fluorophenyl)methanone

HRID 213158Notes

Reaction equation

[CH3:22][c:23]1[cH:24][c:25]([NH2:28])[n:26][nH:27]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][c:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[n:5][c:6]2[c:7]([F:12])[cH:8][cH:9][cH:10][c:11]12.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[c:2]1([NH:28][c:25]2[cH:24][c:23]([CH3:22])[nH:27][n:26]2)[n:3][c:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[n:5][c:6]2[c:7]([F:12])[cH:8][cH:9][cH:10][c:11]12

Participants

Reactant 5

HCID 962Water

HCID 6228Dimethylformamide

HCID 81531Diisopropylethylamine

HCID 931461H-Pyrazol-3-amine, 5-methyl-

HCID 86649065(4-Chloro-8-fluoroquinazolin-2-yl)(4-fluorophenyl)methanone

Product 1

HCID 46893384(8-fluoro-4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)(4-fluorophenyl)methanone

Sources & evidence

ORD record: ord-90f1ed7e50b240c99b73866dcf7cb158
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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