HRID144154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

2 次

结构：Cc1ccc2ccc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1

HCID59398272

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c2c1

HCID59397878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-483dc708bfb64469a253c4bef093f944
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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