1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine → 1-(3-Phenylcinnamoyl)-4-(3,4,5-trimethoxybenzyl)piperazine

반응식

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

참가 물질

반응물 2

HCID 1040951-[(3,4,5-Trimethoxyphenyl)methyl]piperazine

HCID 534112783-([1,1'-Biphenyl]-3-yl)acrylic acid

생성물 1

HCID 544689741-(3-Phenylcinnamoyl)-4-(3,4,5-trimethoxybenzyl)piperazine

출처 및 근거

ORD 기록: ord-9b573677d9c1426c905916be9ae3fdc9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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