HRID2143151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79882

2,2-Dimethyl-1-propylamine

C5H13N

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

结构：CC(C)(C)CNCc1cncc(B2OC(C)(C)C(C)(C)O2)c1

HCID57415712

2,2-Dimethyl-N-{[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methyl}propan-1-amine

C17H29BN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7f92313e17d4a8f99dcd1527eb8a2e1
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

[CH3:36][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][C:54]([CH2:55][NH2:56])([CH3:57])[CH3:58].[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:56][CH2:55][C:54]([CH3:53])([CH3:57])[CH3:58])[cH:47][n:48][cH:49]2)[O:40][C:41]1([CH3:42])[CH3:43]