HRID1231527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31374

Dimethylacetamide

C4H9NO

HCID3352881

1-Benzyl-1H-pyrazole-4-boronic acid

C10H11BN2O2

HCID25215939

5-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-amine

C6H5BrN4

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

HCID44555694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f4f1728a7f04ddca228769cecb53336
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[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([NH2:11])[n:10]2.[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[n:19]1[n:20][cH:21][c:22]([B:24]([OH:25])[OH:26])[cH:23]1.[CH3:35][C:36]([N:37]([CH3:38])[CH3:39])=[O:40].[K+:32].[K+:33].[K+:34].[OH2:118].[P:27]([O-:28])([O-:29])([O-:30])=[O:31].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:2]1(-[c:22]2[cH:21][n:20][n:19]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:23]2)[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([NH2:11])[n:10]2