HRID1120817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID104401

Iodomethyl pivalate

C6H11IO2

结构：COc1ccc(C2=C(C(=O)[O-])N3C(=O)C(C(C)O)C3C2)cc1

HCID178488717

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=C(C(=O)OCOC(=O)C(C)(C)C)N3C(=O)C(C(C)O)C3C2)cc1

HCID178488715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb857c6b7c0d457681e7fee0c3d2eb9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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