Acetic Acid → 2-(2-Isobutyl-3-methyl-benzoylamino)-indan-2-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 251606722-[3-methyl-2-(2-methylprop-1-en-1-yl)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid

생성물 1

HCID 251606712-(2-Isobutyl-3-methyl-benzoylamino)-indan-2-carboxylic acid

출처 및 근거

ORD 기록: ord-593e6a90460e4b40a925553b5a250e5d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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