HRID1132354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID59557920

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

C12H19BN2O3

结构：Cc1c(Br)cccc1NC(=O)c1ccc(C(C)(C)C)cc1

HCID66886483

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：COc1ncc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1N

HCID59557884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-247f598d2c4f4afab585c1452b8ce18a
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:19][c:20]1[c:21]([CH3:39])[c:22]([NH:26][C:27]([c:28]2[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]2)=[O:38])[cH:23][cH:24][cH:25]1.[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:7][c:8]1[NH2:9].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([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)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6](-[c:20]2[c:21]([CH3:39])[c:22]([NH:26][C:27]([c:28]3[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]3)=[O:38])[cH:23][cH:24][cH:25]2)[cH:7][c:8]1[NH2:9]