HRID289368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

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：CCN(CC)C(=O)C1(c2ccc(Cl)cc2)CCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1

HCID16128357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-824057896ded4c1a81ce198593b888cd
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

[CH2:31]([CH3:32])[NH:33][CH2:34][CH3:35].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[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:33]([CH2:31][CH3:32])[CH2:34][CH3:35])([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]