HRID700574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID67898

2-Bromo-1,1,1-trifluoroethane

C2H2BrF3

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(=O)c1cc2c(-c3cc(C)cc(C(C)(C)C)c3O)cccc2s1

HCID17952802

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc2c(-c3cc(C)cc(C(C)(C)C)c3OCC(F)(F)F)cccc2s1

HCID59682073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-deada29863d44efcbdb0d3acebf49be5
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

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