O-Xylene → 4-hydroxy-2-methyl-N-(2-hydroxy-1-oxo-2,4,6-cycloheptatrien-5-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

HRID 103961

반응식

HRID 103961 반응식
[NH2:19][c:20]1[cH:21][cH:22][c:23]([OH:28])[c:24](=[O:27])[cH:25][cH:26]1.[OH:1][C:2]1=[C:3]([C:15]([O:17][CH3:16])=[O:18])[N:4]([CH3:14])[S:5](=[O:12])(=[O:13])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[c:29]1([CH3:30])[c:31]([CH3:32])[cH:33][cH:34][cH:35][cH:36]1>>[OH:1][C:2]1=[C:3]([C:15](=[O:17])[NH:19][c:20]2[cH:21][cH:22][c:23]([OH:28])[c:24](=[O:27])[cH:25][cH:26]2)[N:4]([CH3:14])[S:5](=[O:12])(=[O:13])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

참가 물질

4

반응물 3

HCID 7237O-XyleneHCID 234505-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-oneHCID 54676532methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

생성물 1

HCID 547126974-hydroxy-2-methyl-N-(2-hydroxy-1-oxo-2,4,6-cycloheptatrien-5-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

출처 및 근거

ORD 기록
ord-0c86d139278b4fa5b82c9fb7ecf3fdfc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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