HRID113937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID23082955

N-Propyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C13H13F3N2S

HCID23143241

未命名化合物

PRODUCTS

生成物

结构：CCCN(Cc1ccc(COc2ccc(CCC(=O)OCC)c(F)c2)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1

HCID23143337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18a980f8410f4e14829b9003acfe07f2
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]([CH2:2][CH3:3])[NH:4][c:5]1[s:6][cH:7][c:8](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[n:9]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][O:29][c:30]2[cH:31][c:32]([F:43])[c:33]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:34][cH:35]2)[cH:44][cH:45]1.[ClH:46].[H-:20].[Na+:21]>>[CH2:1]([CH2:2][CH3:3])[N:4]([c:5]1[s:6][cH:7][c:8](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[n:9]1)[CH2:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][O:29][c:30]2[cH:31][c:32]([F:43])[c:33]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:34][cH:35]2)[cH:44][cH:45]1