HRID2134644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID59216474

4-Bromo-6-chloro-2-methylpyridazin-3(2H)-one

C5H4BrClN2O

HCID59292901

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1

HCID66742359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6541b0daaa444c3f9c4e2fb75d3bbae2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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