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Methanol → methyl 2-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-N,3-dimethylphenylsulfonamido)acetate

HRID 301968
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반응식

HRID 301968 반응식
[CH3:46][OH:47].[CH:28]([NH:29][CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[CH:35]1([CH2:38][NH:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:36][CH2:37]1.[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:27])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]([CH3:21])[CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:15][cH:16]2)[n:5][cH:6][n:7]1>>[c:2]1([N:39]([CH2:38][CH:35]2[CH2:36][CH2:37]2)[CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:27])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]([CH3:21])[CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:15][cH:16]2)[n:5][cH:6][n:7]1
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반응물 4

HCID 887MethanolHCID 7912DiisopropylamineHCID 1531432N-(cyclopropylmethyl)cyclohexanamineHCID 59446951methyl 2-(4-(6-chloropyrimidine-4-carboxamido)-N,3-dimethylphenylsulfonamido)acetate

생성물 1

HCID 67528632methyl 2-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-N,3-dimethylphenylsulfonamido)acetate

출처 및 근거

ORD 기록
ord-a8791db4fdcd4af1ad0e2ccca7699ca2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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