HRID184732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID2734765

3-Bromobenzenesulfonamide

C6H6BrNO2S

HCID57675085

5-Methyl-N~2~-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pyrimidine-2,4-diamine

C17H23N5O

PRODUCTS

生成物

结构：Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1

HCID44816080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8e19c3c0bb44e76bc13beec5d72cca7
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

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