HRID112736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID10241

9-Fluorenone

C13H8O

HCID24749

Hexose

C6H12O6

结构：CC(C)(C)c1ccc(O)c(-n2nc3ccccc3[n+]2[O-])c1

HCID13907172

未命名化合物

PRODUCTS

生成物

HCID76605

Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-

C16H17N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63c4cd146cff46bdad83dd72fe4f48dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[O:15]=[CH:16][CH:17]([CH:18]([CH:19]([CH:20]([CH2:21][OH:22])[OH:23])[OH:24])[OH:25])[OH:26].[OH:27][c:28]1[c:29](-[n:38]2[n:39][c:40]3[c:41]([n+:42]2[O-:43])[cH:44][cH:45][cH:46][cH:47]3)[cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]1.[S:48](=[O:49])(=[O:50])([OH:51])[OH:52].[cH:1]1[c:2]2[c:11]([cH:12][cH:13][cH:14]1)-[c:6]1[c:5]([cH:10][cH:9][cH:8][cH:7]1)[C:3]2=[O:4]>>[OH:27][c:28]1[c:29](-[n:38]2[n:39][c:40]3[c:41]([n:42]2)[cH:44][cH:45][cH:46][cH:47]3)[cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]1