HRID664819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID102621

2,2-Dichloro-1-methylcyclopropane-1-carboxylic acid

C5H6Cl2O2

结构：N#CC1(c2ccccc2)CCN(C(=O)Nc2ccc(CC(N)C(=O)O)cc2)CC1

HCID178509344

未命名化合物

PRODUCTS

生成物

结构：CC1(C(=O)NC(Cc2ccc(NC(=O)N3CCC(C#N)(c4ccccc4)CC3)cc2)C(=O)O)CC1(Cl)Cl

HCID22660193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-597e5ad7137947b0a0a68af0abdda007
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

[C:1](#[N:2])[C:3]1([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:4][CH2:5][N:6]([C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:16][CH:17]([NH2:18])[C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:7][CH2:8]1.[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:30][C:31]1([Cl:38])[C:32]([C:34](=[O:35])[OH:36])([CH3:37])[CH2:33]1>>[C:1](#[N:2])[C:3]1([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:4][CH2:5][N:6]([C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:16][CH:17]([NH:18][C:34]([C:32]3([CH3:37])[C:31]([Cl:30])([Cl:38])[CH2:33]3)=[O:35])[C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:7][CH2:8]1