HRID120720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID123250

Benzo(b)thiophene, 3-bromo-

C8H5BrS

HCID4574913

未命名化合物

HCID22567471

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1CCN(C(=O)c2ccc(Nc3csc4ccccc34)cc2)C1

HCID24794879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-095d8f90733b43229216e2cbb01535bd
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:18][c:19]1[cH:20][s:21][c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]([N:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]2)[cH:16][cH:17]1.[Na+:33].[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[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.[Pd:34].[Pd:35]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]([N:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]2)[cH:16][cH:17]1)[c:19]1[cH:20][s:21][c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2