HRID836865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID85570

Tosylate

C7H7O3S-

HCID20246943

Phenyl (2,2-dimethoxyethyl)carbamate

C11H15NO4

结构：CC([NH3+])(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1

HCID178465528

未命名化合物

PRODUCTS

生成物

结构：COC(CNC(=O)NC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)OC

HCID67389255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa6c9ff06d8b4c6a880ff412ea99f01e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:12](#[N:13])[c:14]1[cH:15][cH:16][c:17]([CH2:20][C:21]([CH3:22])([C:23]([NH:24][c:25]2[cH:26][c:27]([Cl:33])[c:28]([F:32])[c:29]([Cl:31])[cH:30]2)=[O:34])[NH3+:35])[cH:18][cH:19]1.[C:59](=[O:60])([O-:61])[O-:62].[CH3:52][N:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[CH3:65][S:66]([CH3:67])=[O:68].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[Na+:63].[Na+:64].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[c:36]1([O:42][C:43](=[O:37])[NH:44][CH2:45][CH:46]([O:47][CH3:48])[O:49][CH3:50])[cH:38][cH:39][cH:40][cH:41][cH:51]1>>[C:12](#[N:13])[c:14]1[cH:15][cH:16][c:17]([CH2:20][C:21]([CH3:22])([C:23]([NH:24][c:25]2[cH:26][c:27]([Cl:33])[c:28]([F:32])[c:29]([Cl:31])[cH:30]2)=[O:34])[NH:35][C:43](=[O:42])[NH:44][CH2:45][CH:46]([O:47][CH3:48])[O:49][CH3:50])[cH:18][cH:19]1