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Ethanol → Ethyl 4-(4-(6-((cyclopropyl methyl)(propyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)butanoate

HRID 1213479
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반응식

HRID 1213479 반응식
[CH3:45][CH2:46][OH:47].[CH:30]([NH:31][CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[CH:37]1([CH2:40][NH:41][CH2:42][CH2:43][CH3:44])[CH2:38][CH2:39]1.[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:29])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:15][cH:16]2)[n:5][cH:6][n:7]1>>[c:2]1([N:41]([CH2:40][CH:37]2[CH2:38][CH2:39]2)[CH2:42][CH2:43][CH3:44])[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:29])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:15][cH:16]2)[n:5][cH:6][n:7]1
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참가 물질

5

반응물 4

HCID 702EthanolHCID 7912DiisopropylamineHCID 117787Cyclopropanemethanamine, N-propyl-HCID 59446961Ethyl 4-(4-(6-chloropyrimidine-4-carboxamido)-3-methylphenylsulfonamido)butanoate

생성물 1

HCID 67529174Ethyl 4-(4-(6-((cyclopropyl methyl)(propyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)butanoate

출처 및 근거

ORD 기록
ord-ece489d035cb42d3b8977a15defe3a24
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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