HRID2155027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

结构：CC(C)(C)OC(=O)C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID88039391

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87949760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ad100a994a4a9aa671cdbdf4a05654
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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