HRID157536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID10847851

未命名化合物

HCID12829006

1-Butyl-2-pyrrolidinemethanamine

C9H20N2

PRODUCTS

生成物

结构：CCCCN1CCCC1CNC(=O)c1cc(Cl)cc2c1SCCN2C

HCID19780172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c537867f2184e0b9c34dc1278546b39
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

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