O-Xylene → 4-Hydroxy-3-(3-isoxazolylcarbamoyl)-2-methyl-2H-1,2-benzothiazine 1,1-Dioxide

반응식

[C:1]([O:3][CH2:2][CH3:4])(=[O:5])[C:6]1=[C:11]([OH:12])[c:10]2[c:9]([cH:16][cH:15][cH:14][cH:13]2)[S:8](=[O:17])(=[O:18])[N:7]1[CH3:19].[NH2:20][c:21]1[n:22][o:23][cH:24][cH:25]1.[c:26]1([CH3:27])[c:28]([CH3:29])[cH:30][cH:31][cH:32][cH:33]1>>[C:1](=[O:3])([C:6]1=[C:11]([OH:12])[c:10]2[c:9]([cH:16][cH:15][cH:14][cH:13]2)[S:8](=[O:17])(=[O:18])[N:7]1[CH3:19])[NH:20][c:21]1[n:22][o:23][cH:24][cH:25]1

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 18102163-Isoxazolamine

HCID 546793484-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide

생성물 1

HCID 547247964-Hydroxy-3-(3-isoxazolylcarbamoyl)-2-methyl-2H-1,2-benzothiazine 1,1-Dioxide

출처 및 근거

ORD 기록: ord-62ccb6879f6f41f08ac2024783ce174c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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