HRID149668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

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

HCID58044008

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCn2nc(Nc3cc(Br)cn(C)c3=O)cc2C1

HCID58044056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f4fa0c17f01406190d9417647f1e184
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:14][c:15]1[c:16](=[O:23])[n:17]([CH3:22])[cH:18][c:19]([Br:21])[cH:20]1.[C:24](=[O:25])([O-:26])[O-:27].[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[CH3:103][CH2:104][O:105][C:106]([CH3:107])=[O:108].[CH3:93][OH:94].[CH3:95][CH2:96][O:97][CH2:98][CH3:99].[CH:39](=[CH:40][C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:57](=[CH:58][C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)=[O:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:75](=[CH:76][C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)=[O:86])[c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[Cl:100][CH2:101][Cl:102].[Cs+:28].[Cs+:29].[NH2:1][c:2]1[n:3][n:4]2[c:5]([cH:13]1)[CH2:6][N:7]([C:10]([CH3:11])=[O:12])[CH2:8][CH2:9]2.[OH2:30].[Pd:37].[Pd:38]>>[NH:1]([c:2]1[n:3][n:4]2[c:5]([cH:13]1)[CH2:6][N:7]([C:10]([CH3:11])=[O:12])[CH2:8][CH2:9]2)[c:15]1[c:16](=[O:23])[n:17]([CH3:22])[cH:18][c:19]([Br:21])[cH:20]1