Methanesulfonic Acid → 2-m-Chlorophenyl-3-(3-trifluoromethyl-4-fluorophenyl)-5-ethyl oxazolidine

반응식

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

참가 물질

반응물 3

HCID 6395Methanesulfonic Acid

HCID 114773-Chlorobenzaldehyde

HCID 201526711-(3-Trifluoromethyl-4-fluorophenylamino)-2-butanol

생성물 1

HCID 201526702-m-Chlorophenyl-3-(3-trifluoromethyl-4-fluorophenyl)-5-ethyl oxazolidine

출처 및 근거

ORD 기록: ord-be65d681c6004d7186e7cdf62c0155aa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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