HRID85937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：COC(C)(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)(C)OC

HCID85867

Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl-

C16H28N4O2

结构：Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1

HCID19592707

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(Br)c2c1

HCID19592471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-118d9c2e6d1749b2b62b00d0f7548db5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:23][N:24]1[C:25](=[O:26])[CH2:27][CH2:28][C:29]1=[O:30].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][cH:10][c:11]3[cH:12][c:13]([CH3:17])[cH:14][n:15][c:16]23)[c:18]([Cl:22])[cH:19][cH:20][cH:21]1.[Cl:53][CH2:54][Cl:55].[N:31]([C:32]([CH3:33])([CH2:34][C:35]([CH3:36])([O:37][CH3:38])[CH3:39])[C:40]#[N:41])=[N:42][C:43]([CH3:44])([CH2:45][C:46]([O:47][CH3:48])([CH3:49])[CH3:50])[C:51]#[N:52]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([Br:23])[c:11]3[cH:12][c:13]([CH3:17])[cH:14][n:15][c:16]23)[c:18]([Cl:22])[cH:19][cH:20][cH:21]1