HRID189638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID520907

2-Butanamine, 3,3-dimethyl-

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

PRODUCTS

生成物

HCID178463670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f20aba5ca9a74928ac71d65b12c6d4e7
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

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