2,5-Dimethylbenzoic acid → 2-{1-[(2,5-Dimethylphenyl)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

HRID 191508

반응식

HRID 191508 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][c:29]1[c:30]([C:31](=[O:32])[OH:33])[cH:34][c:35]([CH3:38])[cH:36][cH:37]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:31]([c:30]4[c:29]([CH3:28])[cH:37][cH:36][c:35]([CH3:38])[cH:34]4)=[O:32])[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

3

반응물 2

HCID 118922,5-Dimethylbenzoic acidHCID 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 673645012-{1-[(2,5-Dimethylphenyl)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-4f94f499b6584841a63fd3d121202463
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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