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Methanol → N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]methanesulfonamide

HRID 1119517
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HRID 1119517 반응식
[CH3:1][OH:2].[CH:3]1([c:9]2[n:10][n:11]([CH3:36])[c:12]3[n:13][c:14](-[c:19]4[c:20]([O:34][CH3:35])[cH:21][c:22]([N:25]([S:26](=[O:27])(=[O:28])[CH3:29])[S:30]([CH3:31])(=[O:32])=[O:33])[cH:23][cH:24]4)[nH:15][c:16](=[O:18])[c:17]23)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Na+:38].[OH-:37].[OH2:39]>>[CH:3]1([c:9]2[n:10][n:11]([CH3:36])[c:12]3[n:13][c:14](-[c:19]4[c:20]([O:34][CH3:35])[cH:21][c:22]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:23][cH:24]4)[nH:15][c:16](=[O:18])[c:17]23)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1
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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 136005960N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]-N-(methylsulfonyl)methanesulfonamide

생성물 1

HCID 136005815
N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]methanesulfonamide

출처 및 근거

ORD 기록
ord-bef2c9566cd04a36ac333adaf9675695
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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