HRID178819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID9855518

4-(Chloromethyl)-5-methyl-2H-1,3-dioxol-2-one

C5H5ClO3

结构：CC(C)(C)OC(=O)NC(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O

HCID77440778

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(=O)oc1COC(=O)C(O)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

HCID178434961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea3b38e7bbc547158ae11140fa5da86c
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:29](=[O:30])([O-:31])[O-:32].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:35][CH2:36][c:37]1[o:38][c:39](=[O:43])[o:40][c:41]1[CH3:42].[Cs+:33].[Cs+:34].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][CH:10]([C:11](=[O:12])[OH:13])[OH:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:5][cH:6]1>>[c:1]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][CH:10]([C:11]([O:12][CH2:36][c:37]2[o:38][c:39](=[O:43])[o:40][c:41]2[CH3:42])=[O:13])[OH:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:5][cH:6]1