O-Xylene → 2-methyl-3,4-dihydro-4-oxo-N-(2-oxo-4-methyl-2H-1-benzopyran-7-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

반응식

[CH3:19][c:20]1[cH:21][c:22](=[O:31])[o:23][c:24]2[cH:25][c:26]([NH2:30])[cH:27][cH:28][c:29]12.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([CH3:18])[S:7](=[O:16])(=[O:17])[c:8]2[c:9]([cH:12][cH:13][cH:14][cH:15]2)[C:10]1=[O:11].[c:32]1([CH3:33])[c:34]([CH3:35])[cH:36][cH:37][cH:38][cH:39]1>>[C:3](=[O:4])([CH:5]1[N:6]([CH3:18])[S:7](=[O:16])(=[O:17])[c:8]2[c:9]([cH:12][cH:13][cH:14][cH:15]2)[C:10]1=[O:11])[NH:30][c:26]1[cH:25][c:24]2[o:23][c:22](=[O:31])[cH:21][c:20]([CH3:19])[c:29]2[cH:28][cH:27]1

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 922497-Amino-4-methylcoumarin

HCID 120152Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

생성물 1

HCID 132906052-methyl-3,4-dihydro-4-oxo-N-(2-oxo-4-methyl-2H-1-benzopyran-7-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

출처 및 근거

ORD 기록: ord-04c0e4d5494146d59956ef244e5c1c8a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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