HRID1556828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID53363739

[4-Fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid

C10H14BFO3

结构：O=C1OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1Cc1cc(C(F)(F)F)ccc1I

HCID59135239

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O

HCID11714270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9376aa5429644a7b72be944b8c13ece
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:48](=[O:49])([O-:50])[O-:51].[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH3:64][C:65]([CH3:66])=[O:67].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH2:14][N:15]([CH2:19][c:20]3[c:21]([I:30])[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:31])[F:32].[F:33][c:34]1[cH:35][c:36]([O:46][CH3:47])[c:37]([B:43]([OH:44])[OH:45])[cH:38][c:39]1[CH:40]([CH3:41])[CH3:42].[K+:52].[K+:53].[OH2:63].[Pd+2:58]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH2:14][N:15]([CH2:19][c:20]3[c:21](-[c:37]4[c:36]([O:46][CH3:47])[cH:35][c:34]([F:33])[c:39]([CH:40]([CH3:41])[CH3:42])[cH:38]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:31])[F:32]