HRID2337337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCN(Cc2ccc(Cl)cc2)C1

HCID18426196

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCNC1

HCID18426286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1373d93398a4597a76feb02ff53776d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][N:20]([CH2:23][c:24]3[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]3)[CH2:21][CH2:22]2)[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1.[CH3:45][OH:46].[CH:39]([OH:40])=[O:41].[OH-:42].[OH-:43].[Pd+2:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][NH:20][CH2:21][CH2:22]2)[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1