HRID166387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID23938

Palladium

结构：OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1

HCID19363751

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1

HCID19363748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02bbabd4418a43edbe6fce0e88e9dc66
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

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