HRID187028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

HCID16217714

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO3

HCID59245013

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)cn1

HCID24890098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-210dfbbdce7b4b438bd7b0f7eccc8153
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

[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH3:23][O:24][c:25]1[n:26][cH:27][c:28]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:29][cH:30]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[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][n:19][cH:20][cH:21][cH:22]1)[CH2:15][CH2:16]2.[K+:45].[K+:46].[K+:47].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[Pd+2:52]>>[c:2]1(-[c:28]2[cH:27][n:26][c:25]([O:24][CH3:23])[cH:30][cH:29]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][n:19][cH:20][cH:21][cH:22]1)[CH2:15][CH2:16]2