HRID139041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8078

Cyclohexane

C6H12

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

结构：CCOC(=O)c1cn(CC)c2c(F)c(Br)c(F)cc2c1=O

HCID13732752

未命名化合物

HCID178506676

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(CC)c2c(F)c(-c3ccccc3)c(F)cc2c1=O

HCID13732760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a3a79fa8d294be88ce2764b8696eebf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:19][c:20]1[c:21]([F:39])[cH:22][c:23]2[c:24](=[O:38])[c:25]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:26][n:27]([CH2:31][CH3:32])[c:28]2[c:29]1[F:30].[CH2:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH2:8]([O:9][CH2:10][CH3:11])[CH3:12].[Cl-:46].[Cl-:48].[Li:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:40].[Pd:125].[Zn+2:47].[c:106]1([P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121][cH:122][cH:123][cH:124]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[c:2]1(-[c:20]2[c:21]([F:39])[cH:22][c:23]3[c:24](=[O:38])[c:25]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:26][n:27]([CH2:31][CH3:32])[c:28]3[c:29]2[F:30])[cH:3][cH:4][cH:5][cH:6][cH:7]1