HRID179432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CSC(=NCC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C)SC

HCID14430217

未命名化合物

HCID15830574

1-Ethenyl-2-(iodomethyl)benzene

C9H9I

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：C=Cc1ccccc1CC(N=C(SC)SC)C(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C

HCID18612523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dba7af282d5d418ab1bad9f920438102
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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