HRID2141891

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

HCID8254

Dimethyl ether

C2H6O

HCID19660

Carbonate

CO3-2

HCID11171100

1,3,5-Trimethylpyrazole-4-boronic acid

C6H11BN2O2

HCID57932906

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：CCCC(CCC)c1cc(C)nn2c(-c3c(C)nn(C)c3C)c(C)nc12

HCID57932960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb05d0c297bd4e94b0603021175afa48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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