1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] → Ethyl 4-[4-[4,4-bis(4-fluorophenyl)-1-butyl]piperazin-1-yl]benzoate

반응식

[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][Br:12])[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[N:20]1([c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36]2)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:23]2[CH2:22][CH2:21][N:20]([c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36]3)[CH2:25][CH2:24]2)[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 937631,1'-(4-Bromobutylidene)bis[4-fluorobenzene]

HCID 2761178Ethyl 4-(piperazin-1-yl)benzoate

생성물 1

HCID 22180531Ethyl 4-[4-[4,4-bis(4-fluorophenyl)-1-butyl]piperazin-1-yl]benzoate

출처 및 근거

ORD 기록: ord-a1909c2dd2674f2d9720b3c9c9344b04
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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