HRID2331772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID3549395

2-Chloro-6-fluorophenylboronic acid

C6H5BClFO2

HCID5360545

Sodium

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1NC(=O)c1ccccc1

HCID67343005

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：CC(C)(C)OC(=O)c1ccc(-c2c(F)cccc2Cl)cc1NC(=O)c1ccccc1

HCID67342982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-171348bb476240fc8645d327f9a144cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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