HRID1229891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID105144

Palladium(2+)

Pd+2

HCID4067274

tert-Butyl hydrogen prop-2-en-1-ylcarbonimidate

C8H15NO2

HCID85875928

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCc1cc(C(F)(F)F)cc(C(F)(F)F)n1

HCID86650694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c74b4326c55b42e68798406219d2eb3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:21][c:22]1[n:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1.[CH2:1]([CH:2]=[CH2:3])[NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH:12]12[CH2:13][CH2:14][CH2:15][CH:16]([BH:17]1)[CH2:18][CH2:19][CH2:20]2.[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:61].[Pd+2:52]>>[CH2:1]([CH2:2][CH2:3][c:22]1[n:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)[NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11]