6-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline → (4-Methanesulfonyl-biphenyl-2-yl)-(6-trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-yl)-methanone

HRID 697975

반응식

HRID 697975 반응식
[CH3:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]([C:31](=[O:32])[OH:33])[c:22](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:23][cH:24]1.[F:1][C:2]([c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[CH2:9][NH:8][CH2:7][CH2:6]2)([F:13])[F:14]>>[F:1][C:2]([c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[CH2:9][N:8]([C:31]([c:21]1[cH:20][c:19]([S:16]([CH3:15])(=[O:17])=[O:18])[cH:24][cH:23][c:22]1-[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[O:32])[CH2:7][CH2:6]2)([F:13])[F:14]

참가 물질

3

반응물 2

HCID 181765196-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinolineHCID 574452544-(methylsulfonyl)-Biphenyl-2-carboxylic acid

생성물 1

HCID 11641139(4-Methanesulfonyl-biphenyl-2-yl)-(6-trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-yl)-methanone

출처 및 근거

ORD 기록
ord-eca29a0b7459472e8182cb5db834e748
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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