2-(Bromomethyl)-1,4-difluorobenzene → Trans 1-[4-(1,3-benzodioxol-5-yl)-1-cyclohexyl]-4-[(2,5-difluorophenyl)methyl]piperazine

반응식

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

참가 물질

반응물 2

HCID 5228302-(Bromomethyl)-1,4-difluorobenzene

HCID 23355081trans 1-[4-(1,3-Benzodioxol-5-yl)-1-cyclohexyl]piperazine

생성물 1

HCID 23355075Trans 1-[4-(1,3-benzodioxol-5-yl)-1-cyclohexyl]-4-[(2,5-difluorophenyl)methyl]piperazine

출처 및 근거

ORD 기록: ord-7be7c65072ef47869669d39ca534b072
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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