HRID810423

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

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID66855369

未命名化合物

HCID66856730

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C=CC(=O)NC(CC)c1cc(F)c(NS(C)(=O)=O)c(F)c1

HCID66855838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad4c0d80840b4f01abdea83c1cdaa8a7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH:14]=[CH:15][C:16](=[O:17])[OH:18])[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[ClH:36].[ClH:44].[NH2:19][CH:20]([CH2:21][CH3:22])[c:23]1[cH:24][c:25]([F:35])[c:26]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[c:27]([F:29])[cH:28]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH:14]=[CH:15][C:16](=[O:18])[NH:19][CH:20]([CH2:21][CH3:22])[c:23]2[cH:24][c:25]([F:35])[c:26]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[c:27]([F:29])[cH:28]2)[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1