HRID1223300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID56934460

未命名化合物

HCID57489656

未命名化合物

PRODUCTS

产物

HCID49847285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d968966545b349ee8bb1c28b6b7b502a
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

[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[cH:14][cH:15][c:16]([C:19]3([CH3:26])[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[cH:17][cH:18]2)[c:5]([C:6](=[O:7])[NH2:8])[cH:9][c:10]1[F:11].[OH2:59].[c:27]1([C:33]2=[N:34][O:35][C:36]3([CH2:37]2)[CH2:38][NH:39][CH2:40][CH2:41][CH2:42]3)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[c:2]1([N:39]2[CH2:38][C:36]3([O:35][N:34]=[C:33]([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:37]3)[CH2:42][CH2:41][CH2:40]2)[n:3][c:4]([NH:12][c:13]2[cH:14][cH:15][c:16]([C:19]3([CH3:26])[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[cH:17][cH:18]2)[c:5]([C:6](=[O:7])[NH2:8])[cH:9][c:10]1[F:11]