HRID1211929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4777987

5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid

C11H12N2O3

结构：CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1c1ccc(Cl)c(Cl)c1

HCID87626346

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)C2CC(=O)N(Cc3ccccn3)C2)CC1c1ccc(Cl)c(Cl)c1

HCID178485447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44e1ee13c7dc4bc9b20324e32623bf96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:2][c:3]1[cH:4][c:5]([CH:10]2[CH2:11][NH:12][CH2:13][CH2:14][CH:15]2[N:16]([C:17]([c:18]2[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)=[O:32])[CH3:33])[cH:6][cH:7][c:8]1[Cl:9].[ClH:1].[O:34]=[C:35]1[CH2:36][CH:37]([C:47](=[O:48])[OH:49])[CH2:38][N:39]1[CH2:40][c:41]1[n:42][cH:43][cH:44][cH:45][cH:46]1>>[Cl:2][c:3]1[cH:4][c:5]([CH:10]2[CH2:11][N:12]([C:47]([CH:37]3[CH2:36][C:35](=[O:34])[N:39]([CH2:40][c:41]4[n:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:38]3)=[O:48])[CH2:13][CH2:14][CH:15]2[N:16]([C:17]([c:18]2[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)=[O:32])[CH3:33])[cH:6][cH:7][c:8]1[Cl:9]