HRID116384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID21101

4-Biphenylacetic acid, 2'-fluoro-

C14H11FO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11275781

4-Methyl-2-(methylamino)-1,3-thiazole-5-sulfonamide

C5H9N3O2S2

PRODUCTS

生成物

结构：Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3F)cc2)sc1S(N)(=O)=O

HCID504302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92cb1f265bd547b29cca3683654536e6
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

[CH3:29][NH:30][c:31]1[s:32][c:33]([S:37](=[O:38])(=[O:39])[NH2:40])[c:34]([CH3:36])[n:35]1.[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[ClH:41].[F:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][C:15](=[O:16])[OH:17])[cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1.[OH2:18].[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[F:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][C:15](=[O:17])[N:30]([CH3:29])[c:31]3[s:32][c:33]([S:37](=[O:38])(=[O:39])[NH2:40])[c:34]([CH3:36])[n:35]3)[cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1