HRID214233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID2737171

ethyl 3,4-difluorobenzoate

C9H8F2O2

HCID72260581

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(Oc2cc(OC(C)CO)cc(C(=O)Nc3ccn(C)n3)c2)c(F)c1

HCID178469070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ea55bba04254afe8192391c321dedd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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