HRID1137252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8470

Trimethyl borate

C3H9BO3

HCID611409

1-Bromo-3,4,5-trifluorobenzene

C6H2BrF3

HCID5462224

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCc2cc(-c3cc(F)c(F)c(F)c3)ccc2C1

HCID22709051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-285e4c2ccd924ab391dc960ceb12a5ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:46][O:47][B:48]([O:49][CH3:50])[O:51][CH3:52].[ClH:53].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[CH2:13][CH:12]([CH2:17][CH2:18][CH3:19])[CH2:11][CH2:10]2)(=[O:20])=[O:21].[F:22][c:23]1[cH:24][c:25]([O:31][B:32]([OH:33])[OH:34])[cH:26][c:27]([F:30])[c:28]1[F:29].[F:35][c:36]1[cH:37][c:38]([Br:39])[cH:40][c:41]([F:42])[c:43]1[F:44].[K+:59].[K+:60].[K+:61].[Mg:45].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:144].[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[c:7]1(-[c:25]2[cH:24][c:23]([F:22])[c:28]([F:29])[c:27]([F:30])[cH:26]2)[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[CH2:13][CH:12]([CH2:17][CH2:18][CH3:19])[CH2:11][CH2:10]2

反应方程式

反应物

Hydrochloric Acid

Potassium cation

Water

Phosphate

N,N-Dimethylformamide

Trimethyl borate

1-Bromo-3,4,5-trifluorobenzene

Magnesium

未命名化合物

未命名化合物

未命名化合物

生成物

未命名化合物