HRID111553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID5359268

Aluminum

结构：COC(=O)c1ccc(C)c(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1

HCID67217293

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-c2cnc3oc(-c4ccc(F)cc4)c(Br)c3c2)c1

HCID67217616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c1437a85639455ba24b488393faf916
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

[Al:36].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl:37][CH:38]([Cl:39])[CH3:40].[F:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][c:18]3[c:19]([n:20][cH:21][c:22](-[c:24]4[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][c:33]4[CH3:34])[cH:23]3)[o:35]2)[cH:14][cH:15]1.[O:1]=[C:2]1[N:3]([Br:8])[C:4](=[O:5])[CH2:6][CH2:7]1>>[Br:8][c:17]1[c:16](-[c:13]2[cH:12][cH:11][c:10]([F:9])[cH:15][cH:14]2)[o:35][c:19]2[c:18]1[cH:23][c:22](-[c:24]1[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][c:33]1[CH3:34])[cH:21][n:20]2