HRID1539014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

HCID31374

Dimethylacetamide

C4H9NO

HCID78572

1H-Benzimidazole, 2-chloro-

C7H5ClN2

结构：COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN)CC1OC

HCID14854953

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCNc2nc3ccccc3[nH]2)CC1OC

HCID14855022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-805395baa23f4db1b7a00ce595247fe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[n:3][c:4]2[c:5]([nH:6]1)[cH:7][cH:8][cH:9][cH:10]2.[Cl:40][CH2:41][Cl:42].[I-:36].[K+:35].[NH2:11][c:12]1[cH:13][c:14]([O:33][CH3:34])[c:15]([C:16](=[O:17])[NH:18][CH:19]2[CH:20]([O:28][CH3:29])[CH2:21][N:22]([CH2:25][CH2:26][NH2:27])[CH2:23][CH2:24]2)[cH:30][c:31]1[Cl:32].[NH4+:37].[OH-:38].[OH2:39]>>[c:2]1([NH:27][CH2:26][CH2:25][N:22]2[CH2:21][CH:20]([O:28][CH3:29])[CH:19]([NH:18][C:16]([c:15]3[c:14]([O:33][CH3:34])[cH:13][c:12]([NH2:11])[c:31]([Cl:32])[cH:30]3)=[O:17])[CH2:24][CH2:23]2)[n:3][c:4]2[c:5]([nH:6]1)[cH:7][cH:8][cH:9][cH:10]2