HRID1213915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C(=O)CBr)cc2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID72244039

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)c1ccc(NC(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)cc1

HCID72244014

rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [4-(2-dimethylamino-acetyl)-phenyl]-amide

C33H34Cl2F2N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a59a6996b7084d889869d5ec237ee44b
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

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