HRID1227409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID12829004

1-(1-Propylpyrrolidin-2-yl)methanamine

C8H18N2

HCID13690886

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc2c1OC(C)C2

HCID13420589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1decd03aba7746c891e54bed058c839b
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:23]([Cl:24])(=[O:25])[O:26][CH2:27][CH3:28].[CH2:29]([CH2:30][CH3:31])[N:32]1[CH:33]([CH2:37][NH2:38])[CH2:34][CH2:35][CH2:36]1.[CH3:18][N:19]([CH3:20])[CH:21]=[O:22].[CH3:1][CH:2]1[O:3][c:4]2[c:5]([cH:7][c:8]([S:14]([NH2:15])(=[O:16])=[O:17])[cH:9][c:10]2[C:11](=[O:12])[OH:13])[CH2:6]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][C:51](=[O:52])[CH3:53].[CH:39]([OH:40])([CH3:41])[CH3:42]>>[CH3:1][CH:2]1[O:3][c:4]2[c:5]([cH:7][c:8]([S:14]([NH2:15])(=[O:16])=[O:17])[cH:9][c:10]2[C:11](=[O:13])[NH:38][CH2:37][CH:33]2[N:32]([CH2:29][CH2:30][CH3:31])[CH2:36][CH2:35][CH2:34]2)[CH2:6]1