HRID1122369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID9877366

1-ethylpiperazin-2-one

C6H12N2O

结构：CS(=O)(=O)OCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

HCID86646697

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1=O

HCID59542846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cc7a683774948d8b220c8bde36fe7aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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