5-Phenyl-1,3-oxazole-4-carboxylic acid → 5-Phenyl-oxazole-4-carboxylic acid [1-(4-acetyl-oxazol-2-ylmethyl)-1H-pyrazol-3-yl]-amide

반응식

[NH2:1][c:2]1[n:3][n:4]([CH2:7][c:8]2[o:9][cH:10][c:11]([C:13]([CH3:14])=[O:15])[n:12]2)[cH:5][cH:6]1.[c:16]1(-[c:22]2[c:23]([C:27](=[O:28])[OH:29])[n:24][cH:25][o:26]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[NH:1]([c:2]1[n:3][n:4]([CH2:7][c:8]2[o:9][cH:10][c:11]([C:13]([CH3:14])=[O:15])[n:12]2)[cH:5][cH:6]1)[C:27]([c:23]1[c:22](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[o:26][cH:25][n:24]1)=[O:28]

참가 물질

반응물 2

HCID 27762995-Phenyl-1,3-oxazole-4-carboxylic acid

HCID 669290971-[2-(3-Amino-pyrazol-1-ylmethyl)-oxazol-4-yl]-ethanone

생성물 1

HCID 426299625-Phenyl-oxazole-4-carboxylic acid [1-(4-acetyl-oxazol-2-ylmethyl)-1H-pyrazol-3-yl]-amide

출처 및 근거

ORD 기록: ord-ff3315125f6b46adbe53277d4ca924ff
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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