HRID665669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID15311216

6-Bromonaphthalen-2-yl trifluoromethanesulfonate

C11H6BrF3O3S

结构：COc1ccc(B2OCC(C)(C)CO2)cc1C12CC3CC(CC(C3)C1)C2

HCID66937976

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：COc1ccc(-c2ccc3cc(Br)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

HCID59129802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d94250cd726b4ca1894c1d2e5e7661b4
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

[C:1]12([c:11]3[cH:12][c:13]([B:19]4[O:20][CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25][O:26]4)[cH:14][cH:15][c:16]3[O:17][CH3:18])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[F:27][C:28]([F:29])([F:30])[S:31]([O:32][c:33]1[cH:34][c:35]2[cH:36][cH:37][c:38]([Br:43])[cH:39][c:40]2[cH:41][cH:42]1)(=[O:44])=[O:45].[K+:51].[K+:52].[K+:53].[OH2:143].[P:46]([O-:47])([O-:48])([O-:49])=[O:50].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[C:1]12([c:11]3[cH:12][c:13](-[c:33]4[cH:34][c:35]5[cH:36][cH:37][c:38]([Br:43])[cH:39][c:40]5[cH:41][cH:42]4)[cH:14][cH:15][c:16]3[O:17][CH3:18])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2