HRID205768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OCCC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3F)cc2c1

HCID59451555

N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-({3-[(1,1-dimethylethyl)oxy]propanoyl}amino)-1H-indole-2-carboxamide

C30H27Cl2FN4O4

PRODUCTS

生成物

结构：N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cc4cc(NC(=O)CCO)ccc4[nH]3)c2F)c1

HCID59451632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce985268e8a948848f74f73513df60e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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