HRID289324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID248044

2-(Chloromethyl)-1-methyl-1H-benzimidazole

C9H9ClN2

结构：COc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1O

HCID135450804

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1OCc1nc2ccccc2n1C

HCID22624972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c03da5e91a64de2b607cc926eb9dc1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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