HRID288538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID11321806

2-Amino-5-bromo-4-methylpyridine-3-carbonitrile

C7H6BrN3

HCID53696090

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：Cc1c(-c2cc(Cl)cc3c2CC(C)(C)O3)cnc(N)c1C#N

HCID19707194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48c793f95dcf45419efbab3d8d94b575
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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