HRID136705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID5943

Carbon tetrachloride

CCl4

HCID6344

Dichloromethane

CH2Cl2

HCID7187

Benzoyl peroxide

C14H10O4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：CC(=O)N(c1cccc(Br)c1)c1c(C#N)cnc2c(C)cc([N+](=O)[O-])cc12

HCID22466747

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(c1cccc(Br)c1)c1c(C#N)cnc2c(CBr)cc([N+](=O)[O-])cc12

HCID22466652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb340e1de7c0481aac2abb0bbc41b718
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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