HRID193453

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

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID2734657

4-Acetamidophenylboronic acid

C8H10BNO3

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

结构：CC(=O)Nc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1

HCID59321920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6360fe4fd404987828f50e3f78504e2
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

[C:23]([CH3:24])(=[O:25])[NH:26][c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[Cl:2][c:3]1[c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][c:16]3[cH:17][n:18][n:19]([CH3:22])[c:20]3[CH3:21])[CH2:13][CH2:14]2)[n:5][cH:6][cH:7][n:8]1.[ClH:1].[K+:40].[K+:41].[OH2:48].[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>>[c:3]1(-[c:30]2[cH:29][cH:28][c:27]([NH:26][C:23]([CH3:24])=[O:25])[cH:32][cH:31]2)[c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][c:16]3[cH:17][n:18][n:19]([CH3:22])[c:20]3[CH3:21])[CH2:13][CH2:14]2)[n:5][cH:6][cH:7][n:8]1