HRID1231598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1672

3-Methoxypropylamine

C4H11NO

HCID4992640

5-Formylpyridine-3-boronic acid pinacol ester

C12H16BNO3

结构：CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cncc(CNCC5CC5)c4)cc23)CC1

HCID57732760

未命名化合物

PRODUCTS

生成物

HCID66722856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd1fb98420bc4fa8b17294fd440059c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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