Acetic Acid → 4-[7-(2,2-Dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-benzoic acid

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 3121834-Carboxyphenylboronic Acid

HCID 578292181-(2-Bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one

생성물 1

HCID 595410734-[7-(2,2-Dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-benzoic acid

출처 및 근거

ORD 기록: ord-047c1aa82bd140d09c8e34fbe2dd74f6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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