HRID679823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID104607

5-Chloro-1-(4-piperidyl)-1H-benzimidazol-2(3H)-one

C12H14ClN3O

HCID10775026

Benzenamine, N-(3-chloropropyl)-2-nitro-

C9H11ClN2O2

PRODUCTS

生成物

结构：O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCNc2ccccc2[N+](=O)[O-])CC1

HCID20385595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eee3492605c40e3ac22ee7c06d297e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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