2,4-Dimethoxybenzoic acid → 2-{1-[(2,4-Dimethoxyphenyl)carbonyl]piperidin-4-yl}-5-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

반응식

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

참가 물질

반응물 2

HCID 70522,4-Dimethoxybenzoic acid

HCID 666165915-(7-Methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

생성물 1

HCID 673639242-{1-[(2,4-Dimethoxyphenyl)carbonyl]piperidin-4-yl}-5-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

출처 및 근거

ORD 기록: ord-7f292b7c3f94452fa5fe01f83878e188
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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