HRID113857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID5461213

(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate

C12H16O4S

HCID13817655

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC(NC(=O)OCc1ccccc1)C(=O)OCC1(C)COC1

HCID67391819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbb6016c0fe640a7bb990c7504b2a3cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:18](=[O:19])([O-:20])[O-:21].[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][C:32](=[O:33])[NH:34][CH:35]([C:36](=[O:37])[OH:38])[CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43].[CH3:1][C:2]1([CH2:6][O:7][S:8]([c:9]2[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]2)(=[O:16])=[O:17])[CH2:3][O:4][CH2:5]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cs+:22].[Cs+:23].[I-:45].[Na+:44].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[CH3:1][C:2]1([CH2:6][O:37][C:36]([CH:35]([NH:34][C:32]([O:31][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:33])[CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:38])[CH2:3][O:4][CH2:5]1