HRID1239594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734367

5-Formyl-2-methoxyphenylboronic acid

C8H9BO4

HCID22268301

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：COc1ccc(C=O)cc1-c1cc2c(cc1C)N(C(C)C)CCN2C(C)C

HCID22268343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8154c66252214df9b3d4c605932e9545
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:18])[cH:4][c:5]2[c:10]([cH:11]1)[N:9]([CH:12]([CH3:13])[CH3:14])[CH2:8][CH2:7][N:6]2[CH:15]([CH3:16])[CH3:17].[C:32](=[O:33])([O-:34])[O-:35].[CH3:19][O:20][c:21]1[c:22]([B:29]([OH:30])[OH:31])[cH:23][c:24]([CH:27]=[O:28])[cH:25][cH:26]1.[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[K+:36].[K+:37].[OH2:38].[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>>[c:2]1(-[c:22]2[c:21]([O:20][CH3:19])[cH:26][cH:25][c:24]([CH:27]=[O:28])[cH:23]2)[c:3]([CH3:18])[cH:4][c:5]2[c:10]([cH:11]1)[N:9]([CH:12]([CH3:13])[CH3:14])[CH2:8][CH2:7][N:6]2[CH:15]([CH3:16])[CH3:17]