HRID1233570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID2773472

4-Isobutylphenylboronic acid

C10H15BO2

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：COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(CC(C)C)cc1

HCID21186239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db84ca77d27140f49ed1ba85e3964d43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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