HRID1562494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID23112378

未命名化合物

结构：Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2)ccc1CN

HCID57555306

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2)ccc1CNC(=O)C1CCN(CCC(C)(C)C)CC1

HCID57555409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43cd13ae442f45c4a1c073fd5122a83d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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