HRID1218568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID23938

Palladium

HCID56737678

1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one

C13H22BNO3

结构：O=C(c1ccc(Oc2ncccc2Br)cc1)c1nc2ccccc2[nH]1

HCID59326957

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CC=C(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1

HCID59326926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cc57b1741664bd4840ac4670d2fe33e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([C:34]2=[CH:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]2)[O:43]1.[CH3:45][C:46](=[O:47])[O-:48].[CH3:51][C:52]#[N:53].[K+:44].[OH2:49].[Pd:50].[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][cH:23][c:24]3[Br:25])[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][cH:23][c:24]3[C:34]3=[CH:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]3)[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2