Ethanol → (RS)-1,1,1-trifluoro-2-(4-ethoxyphenyl)-3-[3-(4-chlorophenoxy)-4-fluorobenzyloxy]propane

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 23948Rhodium

HCID 537269141,1,1-Trifluoro-2-(4-ethoxyphenyl)-3-[3-(4-chlorophenoxy)-4-fluorobenzyloxy]prop-2-ene

생성물 1

HCID 14517038(RS)-1,1,1-trifluoro-2-(4-ethoxyphenyl)-3-[3-(4-chlorophenoxy)-4-fluorobenzyloxy]propane

출처 및 근거

ORD 기록: ord-005b15d2afc54b7faf523775ff016339
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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