HRID2122419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10972

Aceturic Acid

C4H7NO3

结构：Cc1cc(F)ccc1C1CNCCC1N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87628497

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC(=O)N1CCC(N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccc(F)cc2C)C1

HCID87628126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5089c2003e4e44cda901d19d7fffa2fe
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

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