Methanol → (+/-)-3-[3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

HRID 2327738Notes

Reaction equation

HRID 2327738 reaction equation
[CH3:38][OH:39].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([c:23]1[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30]1)[C:9](=[O:22])[N:10]([c:13]1[c:14]([F:21])[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[CH:11]2[CH3:12].[NH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:2]1([NH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([c:23]1[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30]1)[C:9](=[O:22])[N:10]([c:13]1[c:14]([F:21])[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[CH:11]2[CH3:12]

Participants

4

Reactant 3

HCID 887MethanolHCID 6115AnilineHCID 10047943(+/-)-3-[7-chloro-3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

Product 1

HCID 10254568(+/-)-3-[3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

Sources & evidence

ORD record
ord-894944217dc64687826fbd67145dd405
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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