HRID1120199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CC(C)(C)OC(=O)N1CC(C(=O)N2C(=O)OCC2Cc2ccccc2)C(c2ccc(Cl)c(Cl)c2)C1

HCID178452161

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(C(=O)O)C(c2ccc(Cl)c(Cl)c2)C1

HCID16244062

1-(tert-Butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid

C16H19Cl2NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc92fcc915d14e8c87a4f2de78954c48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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