HRID2159510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

C30H43O2P

HCID58347290

未命名化合物

HCID60137670

未命名化合物

PRODUCTS

生成物

结构：CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID76462496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49bfbcc3203943c2bc1ff8a3834c1255
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:17][c:18]1[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([CH3:29])[OH:30])[cH:22][cH:23]1.[CH3:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[CH3:2][CH:3]1[NH:4][CH2:5][CH2:6][N:7]([S:9](=[O:10])(=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH2:8]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[c:52]([O:53][CH:54]([CH3:55])[CH3:56])[cH:57][cH:58][cH:59][c:60]2[O:61][CH:62]([CH3:63])[CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[ClH:1].[Na+:36].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[OH2:70].[Pd:71].[Pd:72]>>[CH3:2][CH:3]1[N:4]([c:18]2[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([CH3:29])[OH:30])[cH:22][cH:23]2)[CH2:5][CH2:6][N:7]([S:9](=[O:10])(=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH2:8]1