Acetonitrile → N-(2-Methoxycarbonylphenyl-sulfonyl)-N'-(4-methoxy-6-ethoxythiocarbonylthiomethyl-pyrimidin-2-yl)-urea

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 156281Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester

HCID 542237212-Amino-4-methoxy-6-ethoxythiocarbonylthiomethyl-pyrimidine

생성물 1

HCID 20070851N-(2-Methoxycarbonylphenyl-sulfonyl)-N'-(4-methoxy-6-ethoxythiocarbonylthiomethyl-pyrimidin-2-yl)-urea

출처 및 근거

ORD 기록: ord-ba72c7fb35894c189b5bf9fa6abbe6bc
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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