HRID2323687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl Acetate

C4H8O2

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

HCID139377

Methylboronic acid

CH5BO2

HCID72297426

未命名化合物

PRODUCTS

产物

HCID72297370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-105a6c44dd6d4778b4045bdfad6d47ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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