HRID686235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

3 次

HCID4296

1-[3-(Trifluoromethyl)phenyl]-piperazine

C11H13F3N2

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID15054214

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c(-c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cs1

HCID19872067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ab148e8c304448a8f0c6f4cf5831d56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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