HRID701640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID569497

3-(Benzoylthio)-2-methylpropanoic acid

C11H12O3S

HCID4574913

未命名化合物

HCID12878433

Benzenecarbothioic acid, S-(3-chloro-2-methyl-3-oxopropyl) ester

C11H11ClO2S

HCID13053975

未命名化合物

PRODUCTS

生成物

结构：CC(CSC(=O)c1ccccc1)C(=O)N1C(=O)N(C)CC1C(=O)OC(C)(C)C

HCID178460868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3099fca75cb5497cb7ea2649983e2865
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

[C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)(=[O:28])[S:29][CH2:30][CH:31]([C:32](=[O:33])[Cl:34])[CH3:35].[C:36]([S:37][CH2:38][CH:39]([CH3:40])[C:41]([OH:42])=[O:43])(=[O:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:15][C:16]([CH3:17])([O-:18])[CH3:19].[CH3:1][N:2]1[C:3](=[O:14])[NH:4][CH:5]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:6]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[K+:20].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[S:51]([Cl:52])([Cl:53])=[O:54]>>[CH3:1][N:2]1[C:3](=[O:14])[N:4]([C:32]([CH:31]([CH2:30][S:29][C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:28])[CH3:35])=[O:33])[CH:5]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:6]1