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

HRID 2129947Notes

Reaction equation

HRID 2129947 reaction equation
[CH3:37][OH:38].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]1)[C:9](=[O:21])[N:10]([c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[CH:11]2[CH3:12].[NH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:2]1([NH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]1)[C:9](=[O:21])[N:10]([c:13]1[cH:14][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 10363933(+/-)-3-[7-chloro-3-(4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

Product 1

HCID 10367082(+/-)-3-[3-(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-5ad48ac44b824ceca56b0f2856fce153
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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