Methyl Isocyanate → 8-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[1-(2-aminoethyl)-3-methylureido]-8H-pyrido[2,3-d]pyrimidin-7-one

HRID 185913

Reaction equation

HRID 185913 reaction equation
[CH3:32][N:33]=[C:34]=[O:35].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:31])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:27][CH2:28][CH2:29][NH2:30])[n:17][c:18]3-[c:19]2[c:20]([CH3:26])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:31])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([N:27]([CH2:28][CH2:29][NH2:30])[C:34]([NH:33][CH3:32])=[O:35])[n:17][c:18]3-[c:19]2[c:20]([CH3:26])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 12228Methyl IsocyanateHCID 596395772-[(2-Aminoethyl)amino]-8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7(8H)-one

Product 1

HCID 668939028-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[1-(2-aminoethyl)-3-methylureido]-8H-pyrido[2,3-d]pyrimidin-7-one

Sources & evidence

ORD record
ord-a9e738cadb41407bab28275046653a36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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