Chloride → alpha-Cyano-m-phenoxybenzyl 2-isopropyl-4-(4-fluorophenyl)-3-butenoate

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 93218Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-

HCID 538855142-Isopropyl-4-(4-fluorophenyl)-3-butenoic acid

생성물 1

HCID 54422995alpha-Cyano-m-phenoxybenzyl 2-isopropyl-4-(4-fluorophenyl)-3-butenoate

출처 및 근거

ORD 기록: ord-b6aae5e4c50a4538b233ba3aa0aaae61
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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