HRID835438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID1483702

2-Phenyl-4-(trifluoromethyl)-5-thiazolecarboxylic acid

C11H6F3NO2S

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID22605542

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1sc(-c2ccccc2)nc1C(F)(F)F)c1cccc(OC(F)(F)F)c1

HCID86593716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be5dc6c4161e40c680be8b1756769592
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

[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:78][N:79]([c:80]1[cH:81][cH:82][n:83][cH:84][cH:85]1)[CH3:86].[F:52][C:53]([O:54][c:55]1[cH:56][c:57]([CH:61]([CH3:62])[NH2:63])[cH:58][cH:59][cH:60]1)([F:64])[F:65].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[c:1]1(-[c:7]2[s:8][c:9]([C:16](=[O:17])[OH:18])[c:10]([C:12]([F:13])([F:14])[F:15])[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:26]1([O:27][P+:28]([N:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)([N:34]2[CH2:35][CH2:36][CH2:37][CH2:38]2)[N:39]2[CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[c:1]1(-[c:7]2[s:8][c:9]([C:16](=[O:18])[NH:63][CH:61]([c:57]3[cH:56][c:55]([O:54][C:53]([F:52])([F:64])[F:65])[cH:60][cH:59][cH:58]3)[CH3:62])[c:10]([C:12]([F:13])([F:14])[F:15])[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1