Methanol → 1-(4-Chloro-phenoxy)-3-[3-(4-trifluoromethyl-phenoxymethyl)-piperidin-1-yl]-propan-2-ol

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 915152-((4-Chlorophenoxy)methyl)oxirane

HCID 219019513-(4-Trifluoromethyl-phenoxymethyl)-piperidine

생성물 1

HCID 219019401-(4-Chloro-phenoxy)-3-[3-(4-trifluoromethyl-phenoxymethyl)-piperidin-1-yl]-propan-2-ol

출처 및 근거

ORD 기록: ord-50ae87b72a2941f192b4cfad09aeee32
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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