Ethyl [(4-aminophenyl)(methyl)oxido-sulfanylidene]carbamate → (RS)-S-(4-{[4-{[2-(acetylamino)ethyl]amino}-5-(2-thienyl)pyrimidine-2-yl]amino}phenyl)-N-(ethoxycarbonyl)-S-methylsulfoximide

반응식

[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:15]2[s:16][cH:17][cH:18][cH:19]2)[c:6]([NH:8][CH2:9][CH2:10][NH:11][C:12]([CH3:13])=[O:14])[n:7]1.[NH2:20][c:21]1[cH:22][cH:23][c:24]([S:27](=[O:28])(=[N:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH3:35])[cH:25][cH:26]1>>[c:2]1([NH:20][c:21]2[cH:22][cH:23][c:24]([S:27](=[O:28])(=[N:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH3:35])[cH:25][cH:26]2)[n:3][cH:4][c:5](-[c:15]2[s:16][cH:17][cH:18][cH:19]2)[c:6]([NH:8][CH2:9][CH2:10][NH:11][C:12]([CH3:13])=[O:14])[n:7]1

참가 물질

반응물 2

HCID 44122615Ethyl [(4-aminophenyl)(methyl)oxido-sulfanylidene]carbamate

HCID 58985576N-[2-(2-chloro-5-(2-thienyl)pyrimidine-4-ylamino)ethyl]acetamide

생성물 1

HCID 58985663(RS)-S-(4-{[4-{[2-(acetylamino)ethyl]amino}-5-(2-thienyl)pyrimidine-2-yl]amino}phenyl)-N-(ethoxycarbonyl)-S-methylsulfoximide

출처 및 근거

ORD 기록: ord-96a8023ff4e34b66bb132c7102d983bb
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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