HRID1546345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID19660

Carbonate

CO3-2

HCID107604

Methyl 4-bromobutyrate

C5H9BrO2

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID7472024

3-hydroxy-5-methoxybenzoic acid

C8H8O4

结构：COc1cc(O)cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID68458737

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCOc1cc(OC)cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID68459895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d32441f1b0304e4b965ba6e1763fe52d
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][c:18]([OH:24])[cH:19][c:20]([O:22][CH3:23])[cH:21]2)=[O:25])[CH2:12][CH2:13]1.[C:38]([O:39][C:40]([N:41]1[CH2:42][CH2:43][CH:44]([NH2:45])[CH2:46][CH2:47]1)=[O:48])([CH3:49])([CH3:50])[CH3:51].[C:64](=[O:65])([O-:66])[O-:67].[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[CH3:70][O:71][C:72]([CH2:73][CH2:74][CH2:75][Br:76])=[O:77].[CH3:86][C:87]#[N:88].[Cl:83][CH2:84][Cl:85].[ClH:52].[K+:68].[K+:69].[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH:26][c:27]1[cH:28][c:29]([C:35]([OH:36])=[O:37])[cH:30][c:31]([O:32][CH3:33])[cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][c:18]([O:24][CH2:75][CH2:74][CH2:73][C:72]([O:71][CH3:70])=[O:77])[cH:19][c:20]([O:22][CH3:23])[cH:21]2)=[O:25])[CH2:12][CH2:13]1