HRID285902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID12291

Piperidine, 1-methyl-

C6H13N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID333522

2-[(tert-Butoxycarbonyl)amino]butanoic acid

C9H17NO4

HCID18972799

未命名化合物

PRODUCTS

生成物

结构：CCC(NC(=O)OC(C)(C)C)C(=O)NC(C)COc1ccc(C#N)cc1

HCID178458010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05000fe909b5462fb15d75c9c5c4af41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([O:36][CH2:37][CH:38]([CH3:39])[NH2:40])[cH:41][cH:42]1.[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[NH:15][CH:16]([C:17](=[O:18])[OH:19])[CH2:20][CH3:21].[CH2:43]([Cl:44])[Cl:45].[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Cl:22][C:23]([O:24][CH2:25][CH:26]([CH3:27])[CH3:28])=[O:29].[OH2:46]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[NH:15][CH:16]([C:17](=[O:19])[NH:40][CH:38]([CH2:37][O:36][c:35]1[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:42][cH:41]1)[CH3:39])[CH2:20][CH3:21]