HRID119611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID971

Oxalic acid

C2H2O4

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)C(=O)CN1C(=O)C(N)CN(C2CCCCC2)c2ccccc21

HCID15490835

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Oc2ccccc2)CN(C2CCCCC2)c2ccccc21

HCID22709427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa6b0b83cfef4bacb2b0d3b0420285b6
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:1]([OH:2])(=[O:3])[C:4]([OH:5])=[O:6].[C:33](=[O:34])([O-:35])[O-:36].[C:39]([O:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)(=[O:47])[Cl:48].[C:7]([CH3:8])([CH3:9])([CH3:10])[C:11](=[O:12])[CH2:13][N:14]1[C:15](=[O:32])[CH:16]([NH2:31])[CH2:17][N:18]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:19]2[c:20]1[cH:21][cH:22][cH:23][cH:24]2.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[K+:37].[K+:38]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[C:11](=[O:12])[CH2:13][N:14]1[C:15](=[O:32])[CH:16]([NH:31][C:39]([O:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:47])[CH2:17][N:18]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:19]2[c:20]1[cH:21][cH:22][cH:23][cH:24]2