HRID107122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：Cc1nc(-c2cncc(C=Cc3ccc(F)cc3)n2)sc1C(=O)NCc1ccccc1

HCID68491462

未命名化合物

PRODUCTS

生成物

HCID24954327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b673a97d6bc4da89df015664514a814
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

[C:35]([O:36][CH2:37][CH3:38])(=[O:39])[CH3:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[c:11]1[c:12]([CH3:31])[n:13][c:14](-[c:16]2[n:17][c:18]([CH:22]=[CH:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:19][n:20][cH:21]2)[s:15]1.[CH2:32]([OH:33])[CH3:34].[OH-:41].[OH-:42].[Pd+2:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[c:11]1[c:12]([CH3:31])[n:13][c:14](-[c:16]2[n:17][c:18]([CH2:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:19][n:20][cH:21]2)[s:15]1