HRID119122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

4 次

HCID31275

1,4-Dioxane

C4H8O2

HCID21955795

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one

C14H18BNO3

HCID57699487

未命名化合物

PRODUCTS

生成物

结构：O=C1NCc2cc(-c3cnc(NC4CCCCC4)c4nccn34)ccc21

HCID25115378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b513b4fadd664b9f81ebf23846d05ba4
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

[Br:1][c:2]1[cH:3][n:4][c:5]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][c:28]3[c:32]([cH:33][cH:34]2)[C:31](=[O:35])[NH:30][CH2:29]3)[O:36]1.[CH3:72][CH2:73][O:74][CH2:75][CH3:76].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[Pd:68].[Pd:69].[Pd:70].[Pd:71].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[c:2]1(-[c:26]2[cH:27][c:28]3[c:32]([cH:33][cH:34]2)[C:31](=[O:35])[NH:30][CH2:29]3)[cH:3][n:4][c:5]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2