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

HRID 2157996
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HRID 2157996 반응식
[C:20](#[N:21])[c:22]1[cH:23][c:24]([N:28]=[C:29]=[O:30])[cH:25][cH:26][cH:27]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:9]([CH3:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[c:6]([Cl:8])[n:7]1.[K+:36]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:28]([c:24]1[cH:23][c:22]([C:20]#[N:21])[cH:27][cH:26][cH:25]1)[C:29](=[O:30])[N:11]([c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH:9]2[CH3:10]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium CationHCID 1140TolueneHCID 27333153-IsocyanatobenzonitrileHCID 45749132-Methylpropan-2-olateHCID 10086026(+/-)-[1-(2,4-Dichloro-pyrimidin-5-yl)-ethyl]-(4-methoxy-phenyl)-amine

생성물 1

HCID 10363933(+/-)-3-[7-chloro-3-(4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

출처 및 근거

ORD 기록
ord-7ddf934516034e2189bfd69ec421e962
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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