9-(4-Bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide → 9-{4-[4-(4-phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-9H-fluorene-9-carboxylic acid-(2,2,2-trifluoroethyl)-amide

반응식

[F:19][C:20]([CH2:21][NH:22][C:23](=[O:24])[C:25]1([CH2:38][CH2:39][CH2:40][CH2:41][Br:42])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]21)([F:43])[F:44].[c:1]1(-[c:7]2[cH:8][c:9]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]([N:13]3[CH2:14][CH2:15][N:16]([CH2:41][CH2:40][CH2:39][CH2:38][C:25]4([C:23]([NH:22][CH2:21][C:20]([F:19])([F:43])[F:44])=[O:24])[c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]5-[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]54)[CH2:17][CH2:18]3)[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 2

HCID 105264379-(4-Bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

HCID 226401171-(4-Phenylpyridin-2-yl)piperazine

생성물 1

HCID 226401909-{4-[4-(4-phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-9H-fluorene-9-carboxylic acid-(2,2,2-trifluoroethyl)-amide

출처 및 근거

ORD 기록: ord-021794fe12be4a08a351ddfe5992b3f4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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