Hexane → N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-trifluoromethylphenyl) ethanamine

반응식

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

참가 물질

반응물 3

HCID 8058Hexane

HCID 305142-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol

HCID 13851156Methyl 2-(4-(2-oxopropyl)phenoxy)acetate

생성물 1

HCID 19874581N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-trifluoromethylphenyl) ethanamine

출처 및 근거

ORD 기록: ord-2c1fe881faff4e2a8d508c540f6a95bc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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