HRID1213802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID136643

Phosphine, bis(1,1-dimethylethyl)-

C8H19P

HCID2734378

Pyridine-3-boronic acid

C5H6BNO2

结构：COc1cccc2c1Oc1cc(Br)ccc1C2C1CC2CCC(C1)N2C(=O)C(F)(F)F

HCID57839243

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CC2CCC(C1)N2C(=O)C(F)(F)F

HCID57839227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32e24319c4ad4581a2736d3b7c2e2992
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:14]([cH:15]1)[O:13][c:12]1[c:7]([cH:8][cH:9][cH:10][c:11]1[O:16][CH3:17])[CH:6]2[CH:18]1[CH2:19][CH:20]2[CH2:21][CH2:22][CH:23]([CH2:24]1)[N:25]2[C:26]([C:27]([F:28])([F:29])[F:30])=[O:31].[C:57]([PH:58][C:59]([CH3:60])([CH3:61])[CH3:62])([CH3:63])([CH3:64])[CH3:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:47].[Pd:54]([Cl:55])[Cl:56].[n:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1>>[c:2]1(-[c:34]2[cH:33][n:32][cH:37][cH:36][cH:35]2)[cH:3][cH:4][c:5]2[c:14]([cH:15]1)[O:13][c:12]1[c:7]([cH:8][cH:9][cH:10][c:11]1[O:16][CH3:17])[CH:6]2[CH:18]1[CH2:19][CH:20]2[CH2:21][CH2:22][CH:23]([CH2:24]1)[N:25]2[C:26]([C:27]([F:28])([F:29])[F:30])=[O:31]