1-[4-[(4-Fluorophenyl)methyl]phenyl]piperazine → 5-[3-(4-(4-(4-Fluorophenyl)methylphenyl)piperazin-1-yl) propylsulfamoyl]-2,3,4,5-tetrahydro-1-benzoxepine

반응식

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

참가 물질

반응물 2

HCID 15199981-[4-[(4-Fluorophenyl)methyl]phenyl]piperazine

HCID 196942585-(3-Chloropropylsulfamoyl)-2,3,4,5-tetrahydro-1-benzoxepine

생성물 1

HCID 701026465-[3-(4-(4-(4-Fluorophenyl)methylphenyl)piperazin-1-yl) propylsulfamoyl]-2,3,4,5-tetrahydro-1-benzoxepine

출처 및 근거

ORD 기록: ord-12a95cdf66d344a2ab542faaf8a772b5
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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