HRID833582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

HCID105144

Palladium(2+)

Pd+2

HCID2757964

3-Cyano-4-fluorophenylboronic acid

C7H5BFNO2

HCID59244708

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)ccc1F

HCID24890444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f00c8d0fea344e38fedb3fabc1be403
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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