HRID308543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6212

Chloroform

CHCl3

HCID70211

Acetic acid, oxo-, ethyl ester

C4H6O3

结构：CCCCc1nc(CCN)cn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441646

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(C(=O)OCC)NCC2

HCID178441542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c315592f2ef49e69237fc9a8c996abf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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