HRID1118601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

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(C)=O

HCID59563513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e86c191a3fe442386616f3f9b234213
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:35][C:36]([Cl:37])=[O:38].[Cl:39][CH2:40][Cl:41].[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>>[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:36]([CH3:35])=[O:38]