HRID186221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID7009496

Ethyl 6-bromo-1H-indole-2-carboxylate

C11H10BrNO2

HCID19035350

4-Methylphenyl dihydrogen borate

C7H9BO3

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：CCOC(=O)c1cc2ccc(-c3ccc(C)cc3)cc2[nH]1

HCID22990151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe45b54544d347d2a115dc833189a8c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:8][c:9]2[cH:10]1.[C:27](=[O:28])([O-:29])[O-:30].[CH2:111]([OH:112])[CH3:113].[CH3:16][c:17]1[cH:18][cH:19][c:20]([O:23][B:24]([OH:25])[OH:26])[cH:21][cH:22]1.[K+:31].[K+:32].[OH2:110].[c:114]1([CH3:115])[cH:116][cH:117][cH:118][cH:119][cH:120]1.[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([P:58]([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)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([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)[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)[cH:108][cH:109]1>>[c:2]1(-[c:20]2[cH:19][cH:18][c:17]([CH3:16])[cH:22][cH:21]2)[cH:3][cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:8][c:9]2[cH:10]1