HRID288486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID28179

Fluoride

F-

HCID2773480

4-Isopropylphenylboronic acid

C9H13BO2

结构：COC(=O)CCNC(=O)c1ccc(C(CC(C)C)Oc2ccc(Br)c(C3OCCCO3)c2)cc1

HCID67153651

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：COC(=O)CCNC(=O)c1ccc(C(CC(C)C)Oc2ccc(-c3ccc(C(C)C)cc3)c(C3OCCCO3)c2)cc1

HCID67153581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf8ba16ea8064944b1de73f0844a7939
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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