HRID1150984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(CC(=O)O)N2

HCID24858539

未命名化合物

HCID57832626

Cyclopentanecarboxylic acid, 2-[[(4-fluorophenyl)methyl]amino]-, ethyl ester

C15H20FNO2

PRODUCTS

生成物

结构：CCOC(=O)C1CCCC1N(Cc1ccc(F)cc1)C(=O)CC1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1

HCID57671249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b89df2d8d6c340b4909f9ea8ffe4728d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:22]([CH3:23])[O:24][C:25](=[O:26])[CH:27]1[CH:28]([NH:32][CH2:33][c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[CH2:29][CH2:30][CH2:31]1.[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[NH:10][C:11]([CH2:16][C:17](=[O:18])[OH:19])=[N:12][S:13]2(=[O:14])=[O:15].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:41]1([N:42]=[C:43]=[N:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[NH:10][C:11]([CH2:16][C:17](=[O:19])[N:32]([CH:28]1[CH:27]([C:25]([O:24][CH2:22][CH3:23])=[O:26])[CH2:31][CH2:30][CH2:29]1)[CH2:33][c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1)=[N:12][S:13]2(=[O:14])=[O:15]