HRID668104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID58353646

未命名化合物

结构：Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1

HCID86638547

未命名化合物

PRODUCTS

生成物

结构：CC1(CCC(=O)Nc2ccc(C(=O)N3CCN(Cc4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)CC3)cc2)CC1

HCID86638548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b8c32ecfcaf4f30b3e2b570fcc21bd5
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

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