HRID1574673

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2776273

benzyl 4-isocyanatopiperidine-1-carboxylate

C14H16N2O3

HCID4574913

未命名化合物

HCID13555987

未命名化合物

PRODUCTS

生成物

结构：CC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)N1

HCID68420479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b04fd086e998439287b42edfd793ba55
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][CH2:22][CH2:23][CH:24]([CH3:25])[NH2:26].[BrH:20].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:40][C:41]#[N:42].[K+:39].[N:1](=[C:2]=[O:3])[CH:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9]1>>[N:1]1([CH:4]2[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:8][CH2:9]2)[C:2](=[O:3])[NH:26][CH:24]([CH3:25])[CH2:23][CH2:22]1