HRID2131718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：CCCCc1cn(C(C)(C)C)sc1=NC(=O)C1(C)CCC(C(=O)O)C1(C)C

HCID25173330

未命名化合物

PRODUCTS

生成物

结构：CCCCc1cn(C(C)(C)C)sc1=NC(=O)C1(C)CCC(C(=O)N(C)C)C1(C)C

HCID68506423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb408261b16a4686b4a7419be7bc83e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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