2-Chloropyrimidine → Methyl 1-pyrimidin-2-yl-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

반응식

[CH2:23]([O:24][C:25]([CH:26]1[CH2:27][CH:28]([S:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41])[CH2:42][NH:43]1)=[O:44])[CH3:45].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[NH:6][CH2:7][CH:8]([S:10](=[O:11])(=[O:12])[c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[CH2:9]1.[Cl:46][c:47]1[n:48][cH:49][cH:50][cH:51][n:52]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([c:47]2[n:48][cH:49][cH:50][cH:51][n:52]2)[CH2:7][CH:8]([S:10](=[O:11])(=[O:12])[c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[CH2:9]1

참가 물질

반응물 3

HCID 744042-Chloropyrimidine

HCID 77229934Methyl 4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

HCID 178469415HCID 178469415, 화합물

생성물 1

HCID 66770366Methyl 1-pyrimidin-2-yl-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

출처 및 근거

ORD 기록: ord-0f395398305a4366a8ce7f3538b3fc7a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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