HRID1549991

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

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID66721202

未命名化合物

HCID68840907

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc4ccc(F)cc4c3C)c(C(F)(F)F)nc12

HCID57752650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d8e118f69624c7598d2dfd6d4a98c2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:20][c:21]1[c:22]([CH3:31])[c:23]2[c:24]([s:25]1)[cH:26][cH:27][c:28]([F:30])[cH:29]2.[C:32](=[O:33])([O-:34])[O-:35].[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.[CH3:57][N:58]1[CH2:59][CH2:60][CH2:61][C:62]1=[O:63].[Cs+:36].[Cs+:37].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH2:64].[Pd:65].[Pd:66].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]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[c:22]([CH3:31])[c:23]3[c:24]([s:25]1)[cH:26][cH:27][c:28]([F:30])[cH:29]3)[c:14]([C:16]([F:17])([F:18])[F:19])[n:15]2