HRID191637

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

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2736778

2-Methoxypyrimidine-5-boronic acid

C5H7BN2O3

HCID11710015

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2ccc(-c3nc(CCN4CCCC4C)c(C)o3)cc2)cn1

HCID178494078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc6192e7324c4624b4df0c0b5c887bb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:31][c:32]1[cH:33][cH:34][c:35](-[c:38]2[o:39][c:40]([CH3:51])[c:41]([CH2:43][CH2:44][N:45]3[CH:46]([CH3:50])[CH2:47][CH2:48][CH2:49]3)[n:42]2)[cH:36][cH:37]1.[C:52](=[O:53])([O-:54])[O-:55].[CH3:20][O:21][c:22]1[n:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][n:27]1.[CH3:68][C:69]#[N:70].[K+:56].[K+:57].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:67].[Pd+2:58].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:20][O:21][c:22]1[n:23][cH:24][c:25](-[c:32]2[cH:33][cH:34][c:35](-[c:38]3[o:39][c:40]([CH3:51])[c:41]([CH2:43][CH2:44][N:45]4[CH:46]([CH3:50])[CH2:47][CH2:48][CH2:49]4)[n:42]3)[cH:36][cH:37]2)[cH:26][n:27]1