Dichloromethane → Methyl 2-[[[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]aminocarbonyl]aminosulfonyl]-4-ethoxybenzoate

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 13987873Methyl 4-ethoxy-2-(isocyanatosulfonyl)benzoate

HCID 146956544-Difluoromethoxy-6-methoxypyrimidin-2-amine

생성물 1

HCID 14695655Methyl 2-[[[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]aminocarbonyl]aminosulfonyl]-4-ethoxybenzoate

출처 및 근거

ORD 기록: ord-1c75cbcdd765488cabd35f852e1cc89c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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