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Water → 1-Cyclohexyl-5-[2-methoxy-4-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)phenyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

HRID 309551
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인쇄 미리보기

반응식

HRID 309551 반응식
[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:1]1([n:7]2[n:8][c:9]([CH3:33])[c:10]3[n:11][c:12](-[c:17]4[c:18]([O:31][CH3:32])[cH:19][c:20]([C:23]5([OH:30])[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]5)[cH:21][cH:22]4)[nH:13][c:14](=[O:16])[c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:34].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[CH:1]1([n:7]2[n:8][c:9]([CH3:33])[c:10]3[n:11][c:12](-[c:17]4[c:18]([O:31][CH3:32])[cH:19][c:20]([C:23]5=[CH:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]5)[cH:21][cH:22]4)[nH:13][c:14](=[O:16])[c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 1360059331-Cyclohexyl-5-[4-(4-hydroxy-1-methyl-4-piperidinyl)-2-methoxyphenyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

생성물 1

HCID 1360058441-Cyclohexyl-5-[2-methoxy-4-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)phenyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

출처 및 근거

ORD 기록
ord-d4bc59e80c004361bb45664b62531c60
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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