HRID827804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID12049

2-Ethyl butylamine

C6H15N

HCID2773430

5-Formyl-2-thiopheneboronic acid

C5H5BO3S

结构：CCC(CC)CNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)s1

HCID57732621

未命名化合物

HCID66722882

未命名化合物

PRODUCTS

生成物

HCID66723160

B-[5-[[(2-Ethylbutyl)amino]methyl]-2-thienyl]boronic acid

C11H20BNO2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2312b0be6f747f6922f80febd8892ed
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:13]([CH3:14])[CH:15]([CH2:16][NH:17][CH2:18][c:19]1[cH:20][cH:21][c:22](-[c:24]2[cH:25][c:26]3[c:27]([c:28]([C:29]([NH2:30])=[O:31])[cH:32]2)[nH:33][cH:34][c:35]3[CH:36]2[CH2:37][CH2:38][N:39]([S:40]([CH2:41][CH3:42])(=[O:43])=[O:44])[CH2:45][CH2:46]2)[s:23]1)[CH2:47][CH3:48].[CH2:1]([NH:2][CH2:3][c:4]1[s:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8]1)[CH3:9].[CH2:59]([CH:60]([CH2:61][CH3:62])[CH2:63][NH2:64])[CH3:65].[CH3:66][OH:67].[CH:49]([c:50]1[s:51][c:52]([B:53]([OH:54])[OH:55])[cH:56][cH:57]1)=[O:58]>>[B:10]([OH:11])([OH:12])[c:22]1[cH:21][cH:20][c:19]([CH2:18][NH:17][CH2:16][CH:15]([CH2:13][CH3:14])[CH2:47][CH3:48])[s:23]1