HRID1558206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID12961849

2-Methyl-1-(4-piperidinyl)-1H-benzimidazole

C13H17N3

结构：Nc1nc(-c2ccc(C=O)cc2)c(-c2ccccc2)cc1[N+](=O)[O-]

HCID57986062

4-(6-Amino-5-nitro-3-phenylpyridin-2-yl)benzaldehyde

C18H13N3O3

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc(N)c([N+](=O)[O-])cc3-c3ccccc3)cc2)CC1

HCID57986075

6-(4-{[4-(2-Methyl-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-nitro-5-phenylpyridin-2-amine

C31H30N6O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e510018706b64e349bf9e6674b69f5d4
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

[CH3:26][c:27]1[n:28][c:29]2[c:30]([n:31]1[CH:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1)[cH:38][cH:39][cH:40][cH:41]2.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][C:50](=[O:51])[OH:52].[ClH:25].[NH2:1][c:2]1[c:3]([N+:22](=[O:23])[O-:24])[cH:4][c:5](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:6](-[c:8]2[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]2)[n:7]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[NH2:1][c:2]1[c:3]([N+:22](=[O:23])[O-:24])[cH:4][c:5](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:6](-[c:8]2[cH:9][cH:10][c:11]([CH2:12][N:35]3[CH2:34][CH2:33][CH:32]([n:31]4[c:27]([CH3:26])[n:28][c:29]5[c:30]4[cH:38][cH:39][cH:40][cH:41]5)[CH2:37][CH2:36]3)[cH:14][cH:15]2)[n:7]1