HRID805796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID4574913

未命名化合物

HCID53417468

3-Bromo-5-chloro-2-(trifluoromethyl)pyridine

C6H2BrClF3N

结构：Nc1ncc2c(n1)-c1ccc(C(F)(F)F)cc1NC(=O)C2

HCID59405023

未命名化合物

PRODUCTS

生成物

结构：O=C1Cc2cnc(Nc3cc(Cl)cnc3C(F)(F)F)nc2-c2ccc(C(F)(F)F)cc2N1

HCID59405022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b27116b5e994fe7bf705f126fbd4a7d
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:22][c:23]1[c:24]([C:30]([F:31])([F:32])[F:33])[n:25][cH:26][c:27]([Cl:29])[cH:28]1.[C:96]([OH:97])([CH3:98])([CH3:99])[CH3:100].[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[K+:39].[NH2:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)-[c:10]1[c:9]([cH:16][c:15]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:13]1)[NH:8][C:7](=[O:21])[CH2:6]2.[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[NH:1]([c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)-[c:10]1[c:9]([cH:16][c:15]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:13]1)[NH:8][C:7](=[O:21])[CH2:6]2)[c:23]1[c:24]([C:30]([F:31])([F:32])[F:33])[n:25][cH:26][c:27]([Cl:29])[cH:28]1