HRID2124590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID53363739

[4-Fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid

C10H14BFO3

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc([N+](=O)[O-])ccc1Br

HCID178422030

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1-c1ccc([N+](=O)[O-])cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID72995338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc17ea91f1544f4eb309343eb3844b00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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