HRID2160572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID57895768

未命名化合物

结构：CCCCCC(O)C=CC1C(O)CC2SC(CCCCC(=O)O)CC21

HCID178445016

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(O)C=CC1C(O)CC2SC(CCCCC(=O)NS(C)(=O)=O)CC21

HCID178445015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a753f9a34e2041d3961be9ca0f053ea4
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

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