HRID300789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID3087291

1H-Benzimidazole-2-carboxamide, N-2-pyridinyl-

C13H10N4O

HCID11809153

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2CCN(CCn3c(C(=O)Nc4ccccn4)nc4ccccc43)CC2)cc1OC

HCID14371294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e6dc57718444e6bac4b708dbe6f7761
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

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