HRID283643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID20274

Heptane, 1-iodo-

C7H15I

HCID2782166

Methyl 5,6-Dichloronicotinate

C7H5Cl2NO2

HCID4574913

未命名化合物

HCID59759449

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)c1ncc(C(=O)OC)cc1Cl

HCID59759248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0640d7e7fcdb473e916b3a984a543aae
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH2:18])[n:15]1)=[O:19].[CH2:32]([CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[I:39].[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:20][c:21]1[n:22][cH:23][c:24]([C:28](=[O:29])[O:30][CH3:31])[cH:25][c:26]1[Cl:27].[K+:45].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([c:21]2[n:22][cH:23][c:24]([C:28](=[O:29])[O:30][CH3:31])[cH:25][c:26]2[Cl:27])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[n:15]1)=[O:19]