HRID800710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7669

N-Methylbenzylamine

C8H11N

HCID7914

Isopropyl ether

C6H14O

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc([N+](=O)[O-])cc3)c(CBr)c2c1=O

HCID15550463

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc([N+](=O)[O-])cc3)c(CN(C)Cc3ccccc3)c2c1=O

HCID15550464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55c9ca4284864f19a9ffeb4bdafd4754
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][CH2:2][c:3]1[c:4](-[c:27]2[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]2)[s:5][c:6]2[n:7]([CH2:18][c:19]3[c:20]([F:26])[cH:21][cH:22][cH:23][c:24]3[F:25])[cH:8][c:9]([C:13]([CH:14]([CH3:15])[CH3:16])=[O:17])[c:10](=[O:12])[c:11]12.[C:54](=[O:55])([O-:56])[O-:57].[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH3:45][NH:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH:61]([O:62][CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[K+:58].[K+:59].[OH2:60]>>[CH2:2]([c:3]1[c:4](-[c:27]2[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]2)[s:5][c:6]2[n:7]([CH2:18][c:19]3[c:20]([F:26])[cH:21][cH:22][cH:23][c:24]3[F:25])[cH:8][c:9]([C:13]([CH:14]([CH3:15])[CH3:16])=[O:17])[c:10](=[O:12])[c:11]12)[N:46]([CH3:45])[CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1