HRID672410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID7010344

2-(dimethylamino)acetyl chloride

C4H8ClNO

结构：CCCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1ccc(CC(=O)OC)cc1

HCID25106601

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN(C)C

HCID25052655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8193c22f64104c20937bccad7cee13e5
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

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