HRID1200816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID12291

Piperidine, 1-methyl-

C6H13N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID433623

未命名化合物

HCID18972799

未命名化合物

PRODUCTS

生成物

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

HCID178446787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-483add7b81c349bca3ab10dcc3bb0699
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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