HRID96604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：C#CC1CCC(C(=O)O)N1C(=O)C(CC(C)C)NC(=O)OC(C)(C)C

HCID178436471

未命名化合物

PRODUCTS

生成物

结构：C#CC1CCC(C(N)=O)N1C(=O)C(CC(C)C)NC(=O)OC(C)(C)C

HCID178436435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f73b3f2d621c4a639ad730bd0caa291f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:15])[N:16]1[CH:17]([C:18](=[O:19])[OH:20])[CH2:21][CH2:22][CH:23]1[C:24]#[CH:25].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[Cl:33][C:34]([O:35][CH2:36][CH:37]([CH3:38])[CH3:39])=[O:40].[ClH:42].[NH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:15])[N:16]1[CH:17]([C:18](=[O:19])[NH2:27])[CH2:21][CH2:22][CH:23]1[C:24]#[CH:25]