HRID668486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11571820

4-METHYLTETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID

C7H12O3

结构：CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123775016

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CN(C(=O)C2(C)CCOCC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178485884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-280b3a857db946dbbe147a4ba8f3fe67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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