HRID1213467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID17020

Propanenitrile, 3-bromo-

C3H4BrN

HCID19660

Carbonate

CO3-2

结构：COc1ccc(C(=O)N(C)C2CN(C(=O)C3CCNCC3)CC2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F

HCID67025720

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N(C)C2CN(C(=O)C3CCN(CCC#N)CC3)CC2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F

HCID67025680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ea0cabde6994910986393acf3ad9e5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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