HRID2141554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14041

Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester

C9H15NO5

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID12714043

1,1′-(Dichloromethylene)bis[4-fluorobenzene]

C13H8Cl2F2

PRODUCTS

生成物

结构：CCOC(=O)C(NC(C)=O)(C(=O)OCC)C(c1ccc(F)cc1)c1ccc(F)cc1

HCID69196443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a09c96cafab41c38ae43a1ee57672cb
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

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