HRID121042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：COc1nc(N(C(=O)OC(C)(C)C)c2ccc(Br)c(C)c2)ccc1C#N

HCID67306440

未命名化合物

PRODUCTS

生成物

结构：COc1nc(N(C(=O)OC(C)(C)C)c2ccc(Br)c(CBr)c2)ccc1C#N

HCID67305601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0c8929505014a779f034b833fe9304c
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:1][c:2]1[c:3]([CH3:26])[cH:4][c:5]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[c:16]2[n:17][c:18]([O:24][CH3:25])[c:19]([C:22]#[N:23])[cH:20][cH:21]2)[cH:6][cH:7]1.[Br:27][N:28]1[C:29](=[O:30])[CH2:31][CH2:32][C:33]1=[O:34].[C:48]([Cl:49])([Cl:50])([Cl:51])[Cl:52].[N:35]#[C:36][C:37]([N:38]=[N:39][C:40]([C:41]#[N:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[OH2:47]>>[Br:1][c:2]1[c:3]([CH2:26][Br:27])[cH:4][c:5]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[c:16]2[n:17][c:18]([O:24][CH3:25])[c:19]([C:22]#[N:23])[cH:20][cH:21]2)[cH:6][cH:7]1