HRID284225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID8857

Ethyl acetate

C4H8O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：COCOc1ccc(C)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C

HCID66991033

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(CBr)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C

HCID66990849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f9a7d44499b43fa86fcf6954730aff2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[C:54](=[O:55])([OH:56])[O-:57].[CH3:21][O:22][CH2:23][O:24][c:25]1[c:26]([C:27](=[O:28])[NH:29][c:30]2[c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40][c:41](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:42]2)[cH:49][c:50]([CH3:53])[cH:51][cH:52]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[N:9]#[C:10][C:11]([N:12]=[N:13][C:14]([C:15]#[N:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Na+:58].[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[Br:1][CH2:53][c:50]1[cH:49][c:26]([C:27](=[O:28])[NH:29][c:30]2[c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40][c:41](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:42]2)[c:25]([O:24][CH2:23][O:22][CH3:21])[cH:52][cH:51]1