HRID318809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID158178

未命名化合物

HCID232388

1-Phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C13H15NO4

结构：CCOC(=O)C(C#N)=NOS(=O)(=O)c1ccc(C)cc1

HCID2786718

Ethyl 2-cyano-2-[[[(4-methylphenyl)sulfonyl]oxy]imino]acetate

C12H12N2O5S

PRODUCTS

生成物

结构：CCOC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)OCc1ccccc1

HCID20247991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-459cf91a912a454a826c5e3c8d6243e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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