HRID2130149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID4100861

4-Propylphenylboronic acid

C9H13BO2

结构：COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1Cl

HCID11015197

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCCc1ccc(-c2ncccc2S(=O)(=O)N(C(=O)OCC(C)C)c2ncc(C)nc2OC)cc1

HCID21186267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dcb6937315e4db883447280e9c2fd10
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

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