HRID1548079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID10998537

2-CHLORO-4,6-DIMETHOXY-5-NITROPYRIMIDINE

C6H6ClN3O4

HCID18176519

6-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H10F3N

PRODUCTS

生成物

结构：COc1nc(N2CCc3cc(C(F)(F)F)ccc3C2)nc(OC)c1[N+](=O)[O-]

HCID59868786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eaf88eb99ad4635a300c8761cc3bf85
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

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