HRID812068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

结构：Bc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID178419148

未命名化合物

HCID178506566

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2n[nH]c3ccccc23)cc1

HCID57378302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2e35d9f9a3749488cf53ce7a46ceb6c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[BH2:1][c:2]1[c:3]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[C:67](=[O:68])([OH:69])[O-:70].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[CH:23]1([P:24]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[c:38]([CH:39]([CH3:40])[CH3:41])[cH:42][c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][c:48]2[CH:49]([CH3:50])[CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[I:57][c:58]1[n:59][nH:60][c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]12.[Na+:71].[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:134]1[CH2:135][CH2:136][CH2:137][CH2:138]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(-[c:58]2[n:59][nH:60][c:61]3[cH:62][cH:63][cH:64][cH:65][c:66]23)[c:3]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1