Dimethyl Sulfoxide → 2,2-Dimethyl-5-oxo-5-(3-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenoxy}-piperidin-1-yl)-pentanoic acid

HRID 690170

反応式

HRID 690170 の反応式
[CH3:32][C:33]1([CH3:41])[C:34](=[O:40])[O:35][C:36](=[O:39])[CH2:37][CH2:38]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][S:50]([CH3:51])=[O:52].[NH:1]1[CH2:2][CH:3]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[c:17]3[n:18][c:19](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[o:20][c:21]3[C:22]([F:23])([F:24])[F:25])[cH:12][cH:13]2)[CH2:4][CH2:5][CH2:6]1>>[N:1]1([C:36]([CH2:37][CH2:38][C:33]([CH3:32])([C:34](=[O:35])[OH:40])[CH3:41])=[O:39])[CH2:2][CH:3]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[c:17]3[n:18][c:19](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[o:20][c:21]3[C:22]([F:23])([F:24])[F:25])[cH:12][cH:13]2)[CH2:4][CH2:5][CH2:6]1

参加物

5

反応物 4

HCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 76247Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dioneHCID 576518792-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid [4-(piperidin-3-yloxy)-phenyl]-amide

生成物 1

HCID 251229282,2-Dimethyl-5-oxo-5-(3-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenoxy}-piperidin-1-yl)-pentanoic acid

出典と根拠

ORDレコード
ord-b63a6499174449969251f4ad4988e603
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

関連ノート

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