Methanesulfonyl chloride → 4-tert.-butyl-N-[6-(2-(methanesulfonylamino)-ethoxy)-5-(o-methoxyphenoxy)-2-methyl-4-pyrimidinyl]-benzene sulfonamide

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([CH3:34])[n:18][c:19]([O:30][CH2:31][CH2:32][NH2:33])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH3:35][S:36](=[O:37])(=[O:38])[Cl:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([CH3:34])[n:18][c:19]([O:30][CH2:31][CH2:32][NH:33][S:36]([CH3:35])(=[O:37])=[O:38])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1

참가 물질

반응물 2

HCID 31297Methanesulfonyl chloride

HCID 18184246HCID 18184246, 화합물

생성물 1

HCID 181842204-tert.-butyl-N-[6-(2-(methanesulfonylamino)-ethoxy)-5-(o-methoxyphenoxy)-2-methyl-4-pyrimidinyl]-benzene sulfonamide

출처 및 근거

ORD 기록: ord-75e1f3b2c8e84f41bfaafe15f5ab39fa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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