HRID1222710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID521865

1-Chloroethyl acetate

C4H7ClO2

结构：Cc1c(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)c(=O)n(C)c(=O)n1C

HCID22613715

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(C)OC(=O)C(Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)OC(C)(C)C

HCID22613754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ec6bc7993954889abd18aaee1d636eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:31](=[O:32])([OH:33])[O-:34].[C:36]([CH3:37])(=[O:38])[O:39][CH:40]([CH3:41])[Cl:42].[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[c:17](=[O:26])[n:18]([CH3:25])[c:19](=[O:24])[n:20]([CH3:23])[c:21]2[CH3:22])[cH:14][cH:15]1)[C:27](=[O:28])[OH:29])[CH3:30].[Na+:35].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43]>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[c:17](=[O:26])[n:18]([CH3:25])[c:19](=[O:24])[n:20]([CH3:23])[c:21]2[CH3:22])[cH:14][cH:15]1)[C:27]([O:28][CH:40]([O:39][C:36]([CH3:37])=[O:38])[CH3:41])=[O:29])[CH3:30]