HRID1136865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID69564

Ethanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-

C8H4F4O

HCID808712

1-(phenylsulfonyl)piperazine

C10H14N2O2S

PRODUCTS

生成物

结构：O=C(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)C(F)(F)F

HCID66582357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6d70e0f71eb41cabd47423ee7ee987d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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