HRID209179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID69860

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-

C6H8N2O3

结构：C=CCN(CC=C)c1ccc(C(C)C(O)(c2ccnc(Cl)c2)C(F)(F)F)c(Cl)c1

HCID57421289

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(N)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID86629109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbd8411a584d47a19237a882372f975e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][N:2]1[C:3](=[O:4])[CH2:5][C:6](=[O:7])[N:8]([CH3:9])[C:10]1=[O:11].[Cl:12][c:13]1[c:14]([CH:26]([C:27]([C:28]([F:29])([F:30])[F:31])([OH:32])[c:33]2[cH:34][c:35]([Cl:39])[n:36][cH:37][cH:38]2)[CH3:40])[cH:15][cH:16][c:17]([N:19]([CH2:20][CH:21]=[CH2:22])[CH2:23][CH:24]=[CH2:25])[cH:18]1.[Cl:43][CH2:44][Cl:45].[Na+:42].[OH-:41].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[Cl:12][c:13]1[c:14]([CH:26]([C:27]([C:28]([F:29])([F:30])[F:31])([OH:32])[c:33]2[cH:34][c:35]([Cl:39])[n:36][cH:37][cH:38]2)[CH3:40])[cH:15][cH:16][c:17]([NH2:19])[cH:18]1