HRID2129249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：COCCc1ccccc1-c1ccc(C(CNC(=O)OC(C)(C)C)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1

HCID86658850

未命名化合物

PRODUCTS

生成物

结构：COCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1

HCID25191615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1822be51f4441599968e1744b7b4a73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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