HRID685285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID4067665

Methoxyazanium

CH6NO+

结构：COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C=O)cc3)C2c2ccccc2)cc1

HCID178491320

未命名化合物

PRODUCTS

生成物

结构：CON=Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)C2c2ccccc2)cc1

HCID178502640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd1bd78f4e5e4159a8757c377a22d325
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

[CH3:1][OH:2].[CH3:35][O:36][NH3+:37].[CH3:39][C:40](=[O:41])[O-:42].[CH:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:33])[C:13]([OH:32])=[C:14]([C:22]([c:23]3[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)=[O:31])[CH:15]2[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:9][cH:10]1.[Cl-:34].[Na+:38].[OH2:43]>>[CH:3]([c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:33])[C:13]([OH:32])=[C:14]([C:22]([c:23]3[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)=[O:31])[CH:15]2[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:9][cH:10]1)=[N:37][O:36][CH3:35]