HRID2340587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

结构：COc1cccc(-c2nc3ccc(N4CCCN(C(=O)OC(C)(C)C)CC4)cc3c(=O)n2CC(=O)NC(C)C)c1

HCID59519026

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(-c2nc3ccc(N4CCCNCC4)cc3c(=O)n2CC(=O)NC(C)C)c1

HCID59519020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6d9acb23d804bb6b27a5a2063d50caa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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