HRID696480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID3614350

3,5-DIBROMO-1-METHYLPYRIDIN-2(1H)-ONE

C6H5Br2NO

HCID58044156

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(Br)cc(Nc2ccc(N3CCN(CCF)CC3)cn2)c1=O

HCID58043840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98ea71e349a54cce87b3d058e93aaa50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:17][c:18]1[c:19](=[O:26])[n:20]([CH3:25])[cH:21][c:22]([Br:24])[cH:23]1.[C:27](=[O:28])([O-:29])[O-:30].[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH2:41]([Cl:42])[Cl:43].[CH3:39][OH:40].[Cs+:31].[Cs+:32].[F:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH2:16])[n:14][cH:15]2)[CH2:8][CH2:9]1.[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:44].[Pd:45].[Pd:46]>>[F:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:18]3[c:19](=[O:26])[n:20]([CH3:25])[cH:21][c:22]([Br:24])[cH:23]3)[n:14][cH:15]2)[CH2:8][CH2:9]1