HRID1558179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1

HCID57416491

N,N-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide

C14H21BN2O3

结构：O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(Br)cc1F)C2

HCID76547897

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1ccc(-c2ccc(N3CCCC4(CCN(C5CCC(O)CC5)C4=O)C3)c(F)c2)cn1

HCID25123470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0a6039d920d411896ea4c8d4866aece
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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