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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 1551614
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인쇄 미리보기

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HRID 1551614 반응식
[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]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 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

생성물 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

출처 및 근거

ORD 기록
ord-99173f33ac8a45098c6e3b0938fc3f77
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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