HRID320814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID69460

1,2,3,4-Tetrahydroquinoline

C9H11N

结构：COc1cccc(C=Cc2nc3sccn3c2C(=O)O)c1OCC1CC1

HCID68405943

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C=Cc2nc3sccn3c2C(=O)N2CCCc3ccccc32)c1OCC1CC1

HCID67548653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a3fa8913b364305b607f9ab0ade2bdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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