HRID200686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID583741

4-Hydroxy-4-phenylcyclohexanone

C12H14O2

HCID2724942

未命名化合物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1(CF)CCNC1

HCID59556164

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1(CF)CCN(C2CCC(O)(c3ccccc3)CC2)C1

HCID59556167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7be8f8a2f624cfe99a49786d1d0012e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:53]([Cl:54])[Cl:55].[F:15][CH2:16][C:17]1([NH:22][C:23]([CH2:24][NH:25][C:26]([c:27]2[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]2)=[O:37])=[O:38])[CH2:18][NH:19][CH2:20][CH2:21]1.[Na+:52].[OH:1][C:2]1([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:3][CH2:4][C:5](=[O:8])[CH2:6][CH2:7]1>>[OH:1][C:2]1([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:3][CH2:4][CH:5]([N:19]2[CH2:18][C:17]([CH2:16][F:15])([NH:22][C:23]([CH2:24][NH:25][C:26]([c:27]3[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]3)=[O:37])=[O:38])[CH2:21][CH2:20]2)[CH2:6][CH2:7]1