Chloride → 3,3'-Difluoro-4-heptyloxybiphenyl-4'-yl 3-ethylcyclobutanecarboxylate

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 47796Cyclobutanecarboxylic acid, 3-ethyl-

HCID 194309383,3'-Difluoro-4-hydroxy-4'-heptyloxybiphenyl

생성물 1

HCID 194309363,3'-Difluoro-4-heptyloxybiphenyl-4'-yl 3-ethylcyclobutanecarboxylate

출처 및 근거

ORD 기록: ord-b415ae77abb94c65894d2fff791d6b01
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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