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

反応式

[NH2:19][c:20]1[c:21](=[O:28])[cH:22][c:23]([CH3:27])[cH:24][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[c:21](=[O:28])[cH:22][c:23]([CH3:27])[cH:24][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

参加物

反応物 3

HCID 7237O-Xylene

HCID 125382072-Amino-6-methyl-2,4,6-cycloheptatrien-1-one

HCID 54676532methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

生成物 1

HCID 547126964-hydroxy-2-methyl-N-(6-methyl-1-oxo-2,4,6-cycloheptatrien-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

出典と根拠

ORDレコード: ord-f61fdcbdbb1846b389934ea058b136ee
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…