HRID148429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

结构：CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O

HCID24991074

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O

HCID24991075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-140e2db3469e4ad793eceebb07086950
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]([OH:2])[CH3:3].[ClH:4].[F:5][C:6]([C:7]([C:8]([F:9])([F:10])[F:11])([O:12][CH2:13][O:14][CH3:15])[c:16]1[cH:17][c:18]([CH2:37][CH2:38][CH3:39])[c:19]([O:22][CH2:23][CH2:24][CH2:25][CH2:26][N:27]2[C:28](=[O:36])[N:29]([CH3:35])[C:30]([CH3:33])([CH3:34])[C:31]2=[O:32])[cH:20][cH:21]1)([F:40])[F:41]>>[F:5][C:6]([C:7]([C:8]([F:9])([F:10])[F:11])([OH:12])[c:16]1[cH:17][c:18]([CH2:37][CH2:38][CH3:39])[c:19]([O:22][CH2:23][CH2:24][CH2:25][CH2:26][N:27]2[C:28](=[O:36])[N:29]([CH3:35])[C:30]([CH3:33])([CH3:34])[C:31]2=[O:32])[cH:20][cH:21]1)([F:40])[F:41]