HRID172270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID5054

Resorcinol

C6H6O2

HCID7237

o-Xylene

C8H10

HCID19698

2-Chloro-4,6-diphenyl-1,3,5-triazine

C15H10ClN3

HCID31347

Sulfolane

C4H8O2S

HCID3826051

未命名化合物

PRODUCTS

生成物

结构：Oc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1

HCID135437125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20bb9c19880f4db6990bab8c544de8dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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