HRID1566223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID23938

Palladium

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N2C3CCC2C2CCC3N2Cc2ccccc2)cc1

HCID67238357

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N2C3CCC2C2CCC3N2)cc1

HCID67237501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b329c4f31a7434b89b61304bb4388be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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