Ethyl Acetate → (+/-)-Acetic acid 2-{3-[8-(3-cyano-phenyl)-6-(4-methoxy-phenyl)-5-methyl-7-oxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylamino]-phenyl}-ethyl ester

HRID 1551614Notes

Reaction equation

HRID 1551614 reaction equation
[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[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][c:33]([CH2:37][CH2:38][O:39][C:40]([CH3:41])=[O:42])[cH:34][cH:35][cH:36]1>>[c:2]1([NH:30][c:31]2[cH:32][c:33]([CH2:37][CH2:38][O:39][C:40]([CH3:41])=[O:42])[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 8857Ethyl AcetateHCID 10363933(+/-)-3-[7-chloro-3-(4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrileHCID 587222382-(3-Aminophenyl)ethyl acetate

Product 1

HCID 10256942(+/-)-Acetic acid 2-{3-[8-(3-cyano-phenyl)-6-(4-methoxy-phenyl)-5-methyl-7-oxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylamino]-phenyl}-ethyl ester

Sources & evidence

ORD record
ord-99173f33ac8a45098c6e3b0938fc3f77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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