HRID89417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1182

DL-Valine

C5H11NO2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCCN1C(=O)OCc1ccccc1

HCID102970

1-Benzyl 2-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate

C19H18N2O6

PRODUCTS

生成物

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

HCID290298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd260ba5d0c643568119419637fb4956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:60]([O:61][CH2:62][CH3:63])(=[O:64])[CH3:65].[CH3:1][CH:2]([CH3:3])[CH:4]([NH2:5])[C:6]([OH:7])=[O:8].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[ClH:46].[N+:19]([c:20]1[cH:21][cH:22][c:23]([O:28][C:29](=[O:24])[CH:30]2[N:31]([C:35](=[O:36])[O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:32][CH2:33][CH2:34]2)[cH:25][cH:26]1)([O-:27])=[O:45].[O:16]=[C:17]=[O:18].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:47]>>[CH3:1][CH:2]([CH3:3])[CH:4]([NH:5][C:29](=[O:28])[CH:30]1[N:31]([C:35](=[O:36])[O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:32][CH2:33][CH2:34]1)[C:6]([OH:7])=[O:8]