HRID1213195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID123153

Phenol, 2,4,5-trifluoro-

C6H3F3O

HCID166653

Hydride

H-

结构：Cc1nn(C2CCN(C(=O)OC(C)C)CC2)c2ncnc(Cl)c12

HCID57964947

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C2CCN(C(=O)OC(C)C)CC2)c2ncnc(Oc3cc(F)c(F)cc3F)c12

HCID57964904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dbefd335708453f93cf8bb98b019073
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

[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:13]([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][CH:22]([n:25]2[n:26][c:27]([CH3:35])[c:28]3[c:29]2[n:30][cH:31][n:32][c:33]3[Cl:34])[CH2:23][CH2:24]1.[Cl-:36].[F:3][c:4]1[c:5]([OH:12])[cH:6][c:7]([F:11])[c:8]([F:10])[cH:9]1.[H-:1].[NH4+:37].[Na+:2]>>[F:3][c:4]1[c:5]([O:12][c:33]2[c:28]3[c:27]([CH3:35])[n:26][n:25]([CH:22]4[CH2:21][CH2:20][N:19]([C:17]([O:16][CH:13]([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]4)[c:29]3[n:30][cH:31][n:32]2)[cH:6][c:7]([F:11])[c:8]([F:10])[cH:9]1