HRID701206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74065

Benzenesulfonamide, p-acetyl- (6CI,7CI,8CI)

C8H9NO3S

HCID21981006

未命名化合物

结构：COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=CC(=O)c1ccc(C(=O)O)cc1

HCID69163741

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(-c2cc3ccccc3n2C)cc1C=CC(=O)c1ccc(S(N)(=O)=O)cc1

HCID69488595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d0a8723f9f9473ab4180581ad4e25a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH2:13])[cH:8][cH:9]1.[CH3:14][O:15][c:16]1[c:17]([CH:18]=[O:19])[cH:20][c:21](-[c:26]2[n:27]([CH3:35])[c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]3[cH:34]2)[c:22]([O:24][CH3:25])[cH:23]1.[s:36]1[c:37](-[c:38]2[c:39]([O:40][CH3:41])[cH:42][c:43]([O:44][CH3:45])[c:46]([CH:47]=[CH:48][C:49]([c:50]3[cH:51][cH:52][c:53]([C:54]([OH:55])=[O:56])[cH:57][cH:58]3)=[O:59])[cH:60]2)[cH:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]12>>[C:1]([CH:2]=[CH:18][c:17]1[c:16]([O:15][CH3:14])[cH:23][c:22]([O:24][CH3:25])[c:21](-[c:26]2[n:27]([CH3:35])[c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]3[cH:34]2)[cH:20]1)(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH2:13])[cH:8][cH:9]1