HRID90269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID11708529

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)c2ccccc2N1

HCID57671235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0806e8c63262486e9b6645767fac3479
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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