HRID155097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID551578

N-isopropylpent-4-en-1-amine

C8H17N

HCID3831185

methyl 2-amino-3,3-dimethylbutanoate

C7H15NO2

PRODUCTS

生成物

结构：C=CCCCN(C(=O)NC(C(=O)OC)C(C)(C)C)C(C)C

HCID178446685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eb99e2c8755467c882782edae9264ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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