HRID685917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID44119380

[3-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid

C9H9BN2O3

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OS(=O)(=O)C(F)(F)F)cc12

HCID59275663

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：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnc(C)o4)c3)cc12

HCID59275675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e94198ff78514b54aa6f4da93228c1d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:38][c:39]1[n:40][n:41][c:42](-[c:44]2[cH:45][c:46]([B:50]([OH:51])[OH:52])[cH:47][cH:48][cH:49]2)[o:43]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:10][C:11]([F:12])([F:13])[S:14]([O:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([c:21]([C:31]([NH:32][CH3:33])=[O:34])[c:22](-[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[o:23]2)[cH:35]1)(=[O:36])=[O:37].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:136].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:16]1(-[c:46]2[cH:45][c:44](-[c:42]3[n:41][n:40][c:39]([CH3:38])[o:43]3)[cH:49][cH:48][cH:47]2)[cH:17][cH:18][c:19]2[c:20]([c:21]([C:31]([NH:32][CH3:33])=[O:34])[c:22](-[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[o:23]2)[cH:35]1