HRID206695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID19660

Carbonate

CO3-2

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CN(C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)c1ccccc1OCCC(=O)O

HCID25158741

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)c1ccccc1OCCC(=O)NNC(=O)OC(C)(C)C

HCID68602450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab97e73f25cf4e88ae397b3836abf6ad
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

[C:47]([NH:48][NH2:49])(=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55].[C:66](=[O:67])([O-:68])[O-:69].[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[Cl:12][c:13]1[c:14](-[c:35]2[cH:36][n:37][c:38]([C:43]([F:44])([F:45])[F:46])[cH:39][c:40]2[C:41]#[N:42])[cH:15][c:16]([C:17](=[O:18])[N:19]([c:20]2[c:21]([O:22][CH2:23][CH2:24][C:25](=[O:26])[OH:27])[cH:28][cH:29][cH:30][cH:31]2)[CH3:32])[cH:33][cH:34]1.[Cl:77][CH2:78][Cl:79].[Na+:70].[Na+:71].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1>>[Cl:12][c:13]1[c:14](-[c:35]2[cH:36][n:37][c:38]([C:43]([F:44])([F:45])[F:46])[cH:39][c:40]2[C:41]#[N:42])[cH:15][c:16]([C:17](=[O:18])[N:19]([c:20]2[c:21]([O:22][CH2:23][CH2:24][C:25](=[O:26])[NH:49][NH:48][C:47](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:28][cH:29][cH:30][cH:31]2)[CH3:32])[cH:33][cH:34]1