HRID116351

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

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24901770

(2-Chloro-5-nitrophenyl)boronic acid

C6H5BClNO4

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1I

HCID76024859

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：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1cc([N+](=O)[O-])ccc1Cl

HCID178422016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60bc286cb50f453fad5ea52f3b1812b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:57][CH2:58][OH:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:34][c:35]1[c:36]([B:44]([OH:45])[OH:46])[cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]1.[Cl:53][CH2:54][Cl:55].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:31])[N:15]([CH2:19][c:20]3[c:21]([I:30])[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[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:32])[F:33].[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:56].[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>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:31])[N:15]([CH2:19][c:20]3[c:21](-[c:36]4[c:35]([Cl:34])[cH:40][cH:39][c:38]([N+:41](=[O:42])[O-:43])[cH:37]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[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:32])[F:33]