HRID815918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1Nc1ccc(F)cc1

HCID68956988

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(-c2ccc(CO)cc2)cc1Nc1ccc(F)cc1

HCID68962839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f0d2c1ef4454bffaa617386108c0214
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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