HRID671176

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

HCID59244708

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cc1

HCID67385320

N,N-Bis[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinamine

C26H32BN3O4

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccncc3)cn2)cc1

HCID67386412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f33d3b1e5bd4b709ce3533b549ad7c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:23][O:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][N:30]([c:31]2[n:32][cH:33][c:34]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:35][n:36]2)[CH2:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)[cH:55][cH:56]1.[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[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+:62].[K+:63].[K+:64].[P:57]([O-:58])([O-:59])([O-:60])=[O:61].[Pd+2:69]>>[c:2]1(-[c:34]2[cH:33][n:32][c:31]([N:30]([CH2:29][c:28]3[cH:27][cH:26][c:25]([O:24][CH3:23])[cH:56][cH:55]3)[CH2:46][c:47]3[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]3)[n:36][cH:35]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