HRID2141999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID84314

2-Bromo-3-methylthiophene

C5H5BrS

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID68840907

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sccc3C)c(C(F)(F)F)nc12

HCID57932947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40bdf2bd1c0248448c48a1f5eae27317
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:20][c:21]1[s:22][cH:23][cH:24][c:25]1[CH3:26].[C:27](=[O:28])([O-:29])[O-:30].[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[n:15]2.[CH3:109][N:110]1[CH2:111][CH2:112][CH2:113][C:114]1=[O:115].[Cs+:31].[Cs+:32].[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[OH2:52].[Pd:53].[Pd:54].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[c:13](-[c:21]1[s:22][cH:23][cH:24][c:25]1[CH3:26])[c:14]([C:16]([F:17])([F:18])[F:19])[n:15]2