Oxalic Acid → 5-(4-Methylphenyl)-4-{[3-(4-methylphenyl)pyrrolidin-1-yl]carbonyl}isoxazole

반응식

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

참가 물질

반응물 3

HCID 971Oxalic Acid

HCID 34690893-(4-Methylphenyl)pyrrolidine

HCID 228317065-(p-Tolyl)isoxazole-4-carboxylic acid

생성물 1

HCID 591702675-(4-Methylphenyl)-4-{[3-(4-methylphenyl)pyrrolidin-1-yl]carbonyl}isoxazole

출처 및 근거

ORD 기록: ord-c5e4a91194844d268a07cbf3351fc669
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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