Phenylboronic Acid → 2,2,2-Trifluoro-1-(6-phenyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl)ethanone

반응식

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

참가 물질

반응물 2

HCID 66827Phenylboronic Acid

HCID 76744236[1-(2,2,2-Trifluoroacetyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-6-yl] trifluoromethanesulfonate

생성물 1

HCID 767443172,2,2-Trifluoro-1-(6-phenyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl)ethanone

출처 및 근거

ORD 기록: ord-99a856fb4f0249f99d8252fba81cb7f3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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