HRID689980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24883

1,3-Dichloropropene

C3H4Cl2

HCID166653

Hydride

H-

结构：COC(=O)c1ccc2c(Br)c(NC(=O)OC(C)(C)C)ccc2c1

HCID44549919

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(Br)c(N(CC=CCl)C(=O)OC(C)(C)C)ccc2c1

HCID75066180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5595d60e5c645ae81ff8da85a942372
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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