HRID1575584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6422

未命名化合物

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID15852209

2,2,2-Trifluoro-N-{[4-(hydroxymethyl)phenyl]methyl}acetamide

C10H10F3NO2

HCID86067829

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NCCCn1cnc2c(OCc3ccc(CNC(=O)C(F)(F)F)cc3)nc(N)nc21

HCID58989129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26aff782fad74823a83605af91906b43
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

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