HRID2137497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CC(C)(C)OC(=O)N1CCC(Nc2cc(N)ncc2Br)CC1

HCID59613539

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cnc(N)cc2NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID59613346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3b918fabf124a7ba24ee9b5a43736ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][C:2]#[N:3].[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[CH3:43][OH:44].[NH2:10][c:11]1[n:12][cH:13][c:14]([Br:31])[c:15]([NH:17][CH:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]2)[cH:16]1.[Na+:4].[Na+:5].[O-:6][C:7](=[O:8])[O-:9].[Pd:45].[c:103]1([P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:46]1([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)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([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)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([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)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[NH2:10][c:11]1[n:12][cH:13][c:14](-[c:37]2[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:39][cH:38]2)[c:15]([NH:17][CH:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]2)[cH:16]1