HRID1237899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：N#Cc1ccc(Oc2ccc(Br)c(C=O)c2)nc1OCC(F)F

HCID86636459

未命名化合物

结构：CC(C)(C)[Si](C)(C)OCCNc1nc(Cl)ccc1C#N

HCID86636468

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCCNc1nc(Oc2ccc(Br)c(C=O)c2)ccc1C#N

HCID86636469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0330800868af45618d76014813b4a090
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:21][c:22]1[c:23]([CH:42]=[O:43])[cH:24][c:25]([O:26][c:27]2[cH:28][cH:29][c:30]([C:31]#[N:32])[c:33]([O:34][CH2:35][CH:36]([F:37])[F:38])[n:39]2)[cH:40][cH:41]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][NH:9][c:10]1[c:11]([C:12]#[N:13])[cH:14][cH:15][c:16]([Cl:18])[n:17]1)([CH3:19])[CH3:20].[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][NH:9][c:10]1[c:11]([C:12]#[N:13])[cH:14][cH:15][c:16]([O:26][c:25]2[cH:24][c:23]([CH:42]=[O:43])[c:22]([Br:21])[cH:41][cH:40]2)[n:17]1)([CH3:19])[CH3:20]