1,2-Dichloroethane → 1,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-

반응식

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

참가 물질

반응물 3

HCID 111,2-Dichloroethane

HCID 174Ethylene Glycol

HCID 190011474-[4-Hydroxy-4-(3,4-difluorophenyl)cyclohexyl]cyclohexanone ethyleneacetal

생성물 1

HCID 115590611,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-

출처 및 근거

ORD 기록: ord-67e71cc37c0a43f9a919f65c0f06399a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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