HRID671271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID5943

Carbon tetrachloride

CCl4

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID8857

Ethyl acetate

C4H8O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID3826051

未命名化合物

结构：COc1cc(F)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1

HCID16722645

未命名化合物

PRODUCTS

生成物

结构：COCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(F)cc2OC)o1

HCID16723058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b578f0f0405941dc98bec26473d0d1f4
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:27][N:28]1[C:31](=[O:34])[CH2:30][CH2:29][C:32]1=[O:33].[C:50]([Cl:51])([Cl:52])([Cl:53])[Cl:54].[CH3:47][O-:48].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:1][c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH3:18])[n:11][n:12]2)[cH:6][cH:7]1.[N:35]([C:36]([CH3:37])([CH3:38])[C:39]#[N:40])=[N:41][C:42]([CH3:43])([CH3:44])[C:45]#[N:46].[Na+:49]>>[F:1][c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH2:18][O:33][CH3:32])[n:11][n:12]2)[cH:6][cH:7]1