HRID123909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID61778

Bisulfate anion

HO4S-

结构：COc1cccc(CC2CCCC2(O)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID19358511

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CC2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID21196541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03a5ba840dfb427b9d18f9df51289c77
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

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