HRID2146682

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

HCID16218388

2,4-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C12H19BN2O4

HCID59244708

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c(OC)n1

HCID59244728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21a734500d1a4435b0213666a055ab06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:23][O:24][c:25]1[n:26][cH:27][c:28]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[c:29]([O:31][CH3:32])[n:30]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[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.[K+:47].[K+:48].[K+:49].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:54]>>[c:2]1(-[c:28]2[cH:27][n:26][c:25]([O:24][CH3:23])[n:30][c:29]2[O:31][CH3:32])[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