HRID201786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID67164

Thiamorpholine

C4H9NS

HCID81531

Diisopropylethylamine

C8H19N

结构：COCCc1noc(C2CC(c3ccc(CC(F)F)cc3)CN(C(=O)Oc3ccc([N+](=O)[O-])cc3)C2)n1

HCID59606576

未命名化合物

PRODUCTS

生成物

结构：COCCc1noc(C2CC(c3ccc(CC(F)F)cc3)CN(C(=O)N3CCSCC3)C2)n1

HCID59606564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc088505ed6549e3afe9ce2b664137f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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