HRID298737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734330

3,4-Dichlorophenylboronic acid

C6H5BCl2O2

结构：O=C(NC1CCCCC1O)c1cnc(OCC(F)(F)F)c(Br)c1

HCID58192591

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCCCC1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1

HCID51029554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d8f13830cc94d88858bb46964808e57
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][c:2]1[c:3]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[n:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH:11]([OH:16])[CH2:12][CH2:13][CH2:14][CH2:15]2)[cH:17]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:24][c:25]1[cH:26][c:27]([B:32]([OH:33])[OH:34])[cH:28][cH:29][c:30]1[Cl:31].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[c:2]1(-[c:27]2[cH:26][c:25]([Cl:24])[c:30]([Cl:31])[cH:29][cH:28]2)[c:3]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[n:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH:11]([OH:16])[CH2:12][CH2:13][CH2:14][CH2:15]2)[cH:17]1