HRID88065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

HCID61778

Bisulfate anion

HO4S-

结构：CCOC(=O)C(CCOCc1ccccc1)N1CC(C)N(C(=O)OCc2ccccc2)CCC1=O

HCID178471709

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(CO)CCOCc2ccccc2)C(=O)CCN1C(=O)OCc1ccccc1

HCID178430568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc9ddbb018464a979dfab2bb21f108d3
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

[BH4-:36].[C:53]([O:54][CH2:55][CH3:56])(=[O:57])[CH3:58].[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]([CH3:35])[CH2:13][N:14]([CH:19]([CH2:20][CH2:21][O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C:30](=[O:31])[O:32][CH2:33][CH3:34])[C:15](=[O:18])[CH2:16][CH2:17]1.[CH3:38][OH:39].[CH3:51][OH:52].[K+:45].[Li+:37].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[S:40]([O-:41])([OH:42])(=[O:43])=[O:44]>>[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]([CH3:35])[CH2:13][N:14]([CH:19]([CH2:20][CH2:21][O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][OH:31])[C:15](=[O:18])[CH2:16][CH2:17]1