HRID208489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31374

Dimethylacetamide

C4H9NO

HCID2777972

3,3,3-Trifluoropropionic acid

C3H3F3O2

HCID9964513

未命名化合物

HCID22742099

未命名化合物

PRODUCTS

生成物

结构：Cc1nsc(NC(=O)C(C)c2ccc(O)c(NC(=O)CC(F)(F)F)c2)c1Cl

HCID22742118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57ac5c4e78914f78ab3a8a1ead463ffe
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

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