HRID803056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID569497

3-(Benzoylthio)-2-methylpropanoic acid

C11H12O3S

HCID4685119

Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

C11H13NO2

HCID12878433

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

C11H11ClO2S

PRODUCTS

生成物

结构：COC(=O)C1Cc2ccccc2CN1C(=O)C(C)CSC(=O)c1ccccc1

HCID13092082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81d24d2e6fbe4f83a9f586bdc8c88e9d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

反应 SMILES

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