HRID1556427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7096

Phenylpiperazine

C10H14N2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

反应SMILES：CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

反应SMILES：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(Br)cc2)cs1

HCID59759336

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(N3CCN(c4ccccc4)CC3)cc2)cs1

HCID59758887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5a5fe6671c854be681bde024de777e1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([Br:25])[cH:23][cH:24]2)[n:15]1)=[O:26].[C:45]([P:46]([C:47]([CH3:48])([CH3:49])[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1-[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)([CH3:63])([CH3:64])[CH3:65].[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[Na+:44].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[OH2:129].[Pd:73].[Pd:74].[c:27]1([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([N:36]3[CH2:35][CH2:34][N:33]([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:38][CH2:37]3)[cH:23][cH:24]2)[n:15]1)=[O:26]