HRID691112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID33558

Azide

N3-

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：Cc1c(C(=O)N(C)C)n(-c2ccccc2)c2cc(Cl)ccc2c1=O

HCID71208915

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1c(CN=[N+]=[N-])c(=O)c2ccc(Cl)cc2n1-c1ccccc1

HCID71209038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ab08610f5fb4476bcc60f2fcc474f43
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

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