HRID105654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID58318011

未命名化合物

HCID58318051

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(Nc2cccc3c2CCN(CCS(C)(=O)=O)C3)nc1-c1ccccn1

HCID58318047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-65b93094fdde473c8efc4c4434cc59d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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