Formic Acid → 3-(trans-4-(2,3-Difluoro-4-ethoxyphenyl)-cyclohexyl)-propanal

반응식

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

참가 물질

반응물 3

HCID 284Formic Acid

HCID 1140Toluene

HCID 220205212-(2-(trans-4-(2,3-Difluoro-4-ethoxyphenyl)-cyclohexyl)-ethyl)-1,3-dioxane

생성물 1

HCID 220205253-(trans-4-(2,3-Difluoro-4-ethoxyphenyl)-cyclohexyl)-propanal

출처 및 근거

ORD 기록: ord-38835e7f387946acb2069de241db7087
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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