HRID2123566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID13408836

4-Oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid

C11H9F3O3

结构：CC(C)N(C)C1CCC(N)C(CS(=O)(=O)c2ccccc2)C1

HCID68637341

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)C1CCC(NC(=O)CCC(=O)c2cccc(C(F)(F)F)c2)C(CS(=O)(=O)c2ccccc2)C1

HCID72768938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed96fc242b0a4a5f83743f8b2c2391c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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