HRID192215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID5976

1,1-Dimethylhydrazine

C2H8N2

HCID6497

Dimethyl sulfate

C2H6O4S

HCID19660

Carbonate

CO3-2

结构：COc1ccc2c(Oc3ccc(C=O)cc3)c(-c3ccccc3)c(C)cc2c1

HCID86087159

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(Oc3ccc(C#N)cc3)c(-c3ccccc3)c(C)cc2c1

HCID68537251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7fee4711f684549b5525c301b5d5ccc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][c:2]1[c:3](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:4]([O:14][c:15]2[cH:16][cH:17][c:18]([CH:19]=[O:20])[cH:21][cH:22]2)[c:5]2[cH:6][cH:7][c:8]([O:12][CH3:13])[cH:9][c:10]2[cH:11]1.[CH3:29][N:30]([CH3:31])[NH2:32].[CH3:33][O:34][S:35]([O:36][CH3:37])(=[O:38])=[O:39].[CH3:46][OH:47].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[OH2:48]>>[CH3:1][c:2]1[c:3](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:4]([O:14][c:15]2[cH:16][cH:17][c:18]([C:19]#[N:30])[cH:21][cH:22]2)[c:5]2[cH:6][cH:7][c:8]([O:12][CH3:13])[cH:9][c:10]2[cH:11]1