HRID676273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID760

Glyoxylic acid

C2H2O3

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID498716

未命名化合物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(N)cc1-c1ccccc1

HCID23436016

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(NCC(=O)O)cc1-c1ccccc1

HCID22001380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f454ba723c5143d0b6feb6313b9714ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:27]([CH:28]=[O:29])(=[O:30])[OH:31].[C:32]([BH3-:33])#[N:34].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([NH2:13])[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25].[CH3:37][C:38](=[O:39])[O-:40].[CH3:41][OH:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][C:50](=[O:51])[OH:52].[Na+:35].[Na+:36].[OH2:26]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([NH:13][CH2:28][C:27](=[O:30])[OH:31])[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25]