HRID168178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7519

Anisole

C7H8O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID61668

Boronic acid

H3BO2

HCID59438216

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

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1

HCID59322079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6be872636c7845bea575791c2edf1f8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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