HRID177012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate Ion

CO3-2

HCID817700

2-Amino-3-bromopyridine

C5H5BrN2

HCID3698726

4-Isopropoxyphenylboronic acid

C9H13BO3

HCID178420554

未命名化合物

PRODUCTS

产物

HCID64087698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4d50617b69484fd889ac346a799ef760
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[Br:20][c:21]1[c:22]([NH2:27])[n:23][cH:24][cH:25][cH:26]1.[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:7][CH:8]([CH3:9])[O:10][c:11]1[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][cH:16]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:34].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([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)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[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)[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)[cH:110][cH:111]1>>[CH3:7][CH:8]([CH3:9])[O:10][c:11]1[cH:12][cH:13][c:14](-[c:21]2[c:22]([NH2:27])[n:23][cH:24][cH:25][cH:26]2)[cH:15][cH:16]1