HRID147102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8079

Cyclohexene

C6H10

HCID23938

Palladium

结构：Cc1cc(C(=O)N2CCc3nc(C)n(Cc4ccccc4)c3-c3ccccc32)ccc1CNC(=O)C1CC1

HCID57555290

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(CNC(=O)C3CC3)c(C)c1)CC2

HCID178432324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8f2723a3e6542128b4c64b14f49ca3d
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:38])[n:10][c:11]2[c:17]1-[c:16]1[c:15]([cH:21][cH:20][cH:19][cH:18]1)[N:14]([C:22](=[O:23])[c:24]1[cH:25][c:26]([CH3:37])[c:27]([CH2:28][NH:29][C:30](=[O:31])[CH:32]3[CH2:33][CH2:34]3)[cH:35][cH:36]1)[CH2:13][CH2:12]2.[CH2:39]1[CH2:40][CH:41]=[CH:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[Pd:48]>>[nH:8]1[c:9]([CH3:38])[n:10][c:11]2[c:17]1-[c:16]1[c:15]([cH:21][cH:20][cH:19][cH:18]1)[N:14]([C:22](=[O:23])[c:24]1[cH:25][c:26]([CH3:37])[c:27]([CH2:28][NH:29][C:30](=[O:31])[CH:32]3[CH2:33][CH2:34]3)[cH:35][cH:36]1)[CH2:13][CH2:12]2