HRID1119305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID519181

4-Bromo-1,3,5-trimethyl-1H-pyrazole

C6H9BrN2

HCID18522055

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(C)c1-c1cccc(-n2c(N)nc3ccccc32)c1

HCID18522073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab0847ff6f9f4e7bbcc969df352f8c54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:23][c:24]1[c:25]([CH3:31])[n:26][n:27]([CH3:30])[c:28]1[CH3:29].[C:32](=[O:33])([O-:34])[OH:35].[CH3:116][O:117][CH2:118][CH2:119][O:120][CH3:121].[NH2:1][c:2]1[n:3][c:4]2[c:5]([n:6]1-[c:7]1[cH:8][c:9]([B:13]3[O:14][CH2:15][CH2:16][CH2:17][O:18]3)[cH:10][cH:11][cH:12]1)[cH:19][cH:20][cH:21][cH:22]2.[Na+:36].[Na+:38].[OH-:37].[OH2:122].[Pd:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[NH2:1][c:2]1[n:3][c:4]2[c:5]([n:6]1-[c:7]1[cH:8][c:9](-[c:24]3[c:25]([CH3:31])[n:26][n:27]([CH3:30])[c:28]3[CH3:29])[cH:10][cH:11][cH:12]1)[cH:19][cH:20][cH:21][cH:22]2