m-Xylyl bromide → 6-[4-(3,3-Diphenyl-1-propyl)piperazin-1-yl]-2-(3-methylbenzyl)-2,3-dihydro-1H-isoindol-1-one

반응식

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

참가 물질

반응물 2

HCID 12099m-Xylyl bromide

HCID 185109312,3-Dihydro-6-[4-(3,3-diphenyl-1-propyl)piperazin-1-yl]-1H-isoindol-1-one

생성물 1

HCID 185107816-[4-(3,3-Diphenyl-1-propyl)piperazin-1-yl]-2-(3-methylbenzyl)-2,3-dihydro-1H-isoindol-1-one

출처 및 근거

ORD 기록: ord-2331a5ee215648e584f8947b0e9f0508
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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