HRID1220643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31268

Pyrrolidine

C4H9N

结构：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC(C(=O)O)(c2ccc(Cl)cc2)CC1

HCID16128275

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC(C(=O)N2CCCC2)(c2ccc(Cl)cc2)CC1

HCID16128358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6a260c55618434f88e6ef2c060a03f4
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

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