HRID140272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

3 次

HCID8071

未命名化合物

HCID28179

Fluoride

F-

HCID2734377

4-Phenoxyphenylboronic acid

C12H11BO3

结构：COC(=O)C1CCC(c2nc(Br)c3c(N)nccn23)CC1

HCID66915664

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)C1CCC(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)CC1

HCID57961039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c72b2cf1762c46ccaefc328bd962426c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH:8]([c:11]2[n:12][c:13]([Br:21])[c:14]3[n:15]2[cH:16][cH:17][n:18][c:19]3[NH2:20])[CH2:9][CH2:10]1.[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[F-:40].[K+:41].[O:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[OH2:38].[OH2:39].[OH2:48].[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](=[O:4])[CH:5]1[CH2:6][CH2:7][CH:8]([c:11]2[n:12][c:13](-[c:32]3[cH:31][cH:30][c:29]([O:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:34][cH:33]3)[c:14]3[n:15]2[cH:16][cH:17][n:18][c:19]3[NH2:20])[CH2:9][CH2:10]1