HRID160984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1nc(OCC)n(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2F)c1C=NO

HCID72266017

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc(CC)c(C=NO)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

HCID72572955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e68ea1ccccfb482eaae1b9153ff8e81f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:34])[c:17]([CH2:20][n:21]3[c:22]([O:31][CH2:32][CH3:33])[n:23][c:24]([CH:29]=[CH2:30])[c:25]3[CH:26]=[N:27][OH:28])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH3:35][CH2:36][OH:37].[OH-:38].[OH-:40].[OH2:41].[Pd+2:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:34])[c:17]([CH2:20][n:21]3[c:22]([O:31][CH2:32][CH3:33])[n:23][c:24]([CH2:29][CH3:30])[c:25]3[CH:26]=[N:27][OH:28])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1