HRID1233033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1031

1-Propanol

C3H8O

HCID24872

Rhodium chloride

Cl3Rh

结构：C=CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(-c4ccc(C(=O)OC)c(F)c4)cc3Cl)C(F)(F)F)cc21

HCID66697283

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc4c(c3)NC(=O)CO4)C(F)(F)F)c(Cl)c2)cc1F

HCID66697171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-140b158005ef460880325b340dc615a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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