HRID824449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID7656

Dibenzylamine

C14H15N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1nc(Cl)c([N+](=O)[O-])c(NCC2(O)CCCCC2)c1C

HCID57515431

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c(NCC2(O)CCCCC2)c1C

HCID57515432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6323776a6d444ce9f9ddeca17d264e3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[NH:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[CH3:63][OH:64].[Cl:1][c:2]1[n:3][c:4]([CH3:21])[c:5]([CH3:20])[c:6]([NH:11][CH2:12][C:13]2([OH:19])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:7]1[N+:8](=[O:9])[O-:10].[ClH:44]>>[c:2]1([N:29]([CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[n:3][c:4]([CH3:21])[c:5]([CH3:20])[c:6]([NH:11][CH2:12][C:13]2([OH:19])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:7]1[N+:8](=[O:9])[O-:10]