4-(Trifluoromethyl)phenylboronic acid → (4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-(4-trifluoromethyl-phenyl)-1H-indol-2-yl]-methanone

HRID 321381

반응식

HRID 321381 반응식
[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1.[F:30][C:31]([c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1)([F:41])[F:42]>>[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:35]3[cH:34][cH:33][c:32]([C:31]([F:30])([F:41])[F:42])[cH:37][cH:36]3)[c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1

참가 물질

3

반응물 2

HCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 11603838(4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]methanone

생성물 1

HCID 16739481(4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-(4-trifluoromethyl-phenyl)-1H-indol-2-yl]-methanone

출처 및 근거

ORD 기록
ord-3252f8aef7874b6ca3aee20e1b1defc5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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