HRID2321879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID5943

Carbon tetrachloride

CCl4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID166653

Hydride

H-

HCID12467710

2-Butyl-1H-imidazo[4,5-b]pyridine

C10H13N3

HCID20094549

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2cccnc2n1Cc1ccc2nn(-c3ccccc3C(=O)OCC)c(Br)c2c1

HCID20094521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23413f2ab5334d93873d947f63908e0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[n:3](-[c:12]2[c:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:19][cH:20][cH:21][cH:22]2)[n:4][c:5]2[cH:6][cH:7][c:8]([CH3:11])[cH:9][c:10]12.[Br:23][N:24]1[C:25](=[O:26])[CH2:27][CH2:28][C:29]1=[O:30].[C:63]([Cl:64])([Cl:65])([Cl:66])[Cl:67].[CH2:45]([CH2:46][CH2:47][CH3:48])[c:49]1[nH:50][c:51]2[c:52]([n:53][cH:54][cH:55][cH:56]2)[n:57]1.[H-:43].[N:31]#[C:32][C:33]([N:34]=[N:35][C:36]([C:37]#[N:38])([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Na+:44].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[Br:1][c:2]1[n:3](-[c:12]2[c:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:19][cH:20][cH:21][cH:22]2)[n:4][c:5]2[cH:6][cH:7][c:8]([CH2:11][n:57]3[c:49]([CH2:45][CH2:46][CH2:47][CH3:48])[n:50][c:51]4[c:52]3[n:53][cH:54][cH:55][cH:56]4)[cH:9][c:10]12