Toluene → 5,7-dimethyl-2-oxo-3(2H)-Benzoxazoleacetic acid

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 6344Dichloromethane

HCID 57436180tert-Butyl (5,7-dimethyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate

생성물 1

HCID 184426555,7-dimethyl-2-oxo-3(2H)-Benzoxazoleacetic acid

출처 및 근거

ORD 기록: ord-d56f8207d4a342d8b47c2725181e234b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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