HRID96242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：Brc1cnc(N2CCc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)nc1

HCID22640324

未命名化合物

PRODUCTS

生成物

结构：c1cncc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc2)c1

HCID22640309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fb53586b0484e9290298997ff0e7b26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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