HRID817487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID269722

1-(4-Methoxyphenyl)piperazine

C11H16N2O

2 次

HCID7925562

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3ccc(C(=O)Nc4ccc(C)c(I)c4)cn3)CC2)cc1

HCID59318182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe11fbd5610e4765afc5ccc7be6d9dee
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

[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:9][cH:10]1.[CH3:47][O:48][c:49]1[cH:50][cH:51][c:52]([N:53]2[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]2)[cH:59][cH:60]1.[CH3:61][N:62]([c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1)[CH3:69].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Cl:28][c:29]1[n:30][cH:31][c:32]([C:33](=[O:34])[NH:35][c:36]2[cH:37][c:38]([I:43])[c:39]([CH3:42])[cH:40][cH:41]2)[cH:44][cH:45]1.[Cl:70][CH2:71][Cl:72].[ClH:1].[ClH:2].[ClH:46].[Na+:18].[OH-:17]>>[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:29]3[n:30][cH:31][c:32]([C:33](=[O:34])[NH:35][c:36]4[cH:37][c:38]([I:43])[c:39]([CH3:42])[cH:40][cH:41]4)[cH:44][cH:45]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1