HRID319434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID58375509

未命名化合物

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

HCID123260186

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC1CCC(C(=O)N2CC(c3ccc(F)cc3)C(N(C)C(=O)N(C)c3cc(Cl)cc(C(F)(F)F)c3)C2)CC1

HCID178501970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c52a4cf323f47678ad1bf984ee41ce0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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