HRID180058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID9550

Diazomethane

CH2N2

HCID12699

N-Nitroso-N-methylurea

C2H5N3O2

结构：CC(C)(C)OC(=O)N1CCC2C1C(C(=O)O)CN2C(=O)OCc1ccccc1

HCID67216716

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(C(=O)OCc2ccccc2)C2CCN(C(=O)OC(C)(C)C)C12

HCID67280928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d673c1dbd5b343989db33cc3a2223fbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]2[N:12]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:13][CH:14]([C:16](=[O:17])[OH:18])[CH:15]12.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[K+:40].[N+:29](=[N-:30])=[CH2:31].[N:32]([N:33]([CH3:34])[C:35]([NH2:36])=[O:37])=[O:38].[OH-:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]2[N:12]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:13][CH:14]([C:16]([O:17][CH3:31])=[O:18])[CH:15]12