HRID104771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

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

HCID23233570

未命名化合物

HCID178527371

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(Cc2ccccc2)C1

HCID76462287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cabfa9855504605bb5046cd4fff16d9
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:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][cH:7]1.[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]1[CH2:26][N:27]([S:31](=[O:32])(=[O:33])[c:34]2[s:35][cH:36][cH:37][cH:38]2)[CH2:28][CH2:29][NH:30]1.[CH3:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2-[c:59]2[c:60]([O:61][CH:62]([CH3:63])[CH3:64])[cH:65][cH:66][cH:67][c:68]2[O:69][CH:70]([CH3:71])[CH3:72])[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1.[Na+:44].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79]>>[c:2]1([N:30]2[CH:25]([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:26][N:27]([S:31](=[O:32])(=[O:33])[c:34]3[s:35][cH:36][cH:37][cH:38]3)[CH2:28][CH2:29]2)[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][cH:7]1