HRID108425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID23153198

4-(2-Fluoro-4-nitrophenoxy)-2-pyridinamine

C11H8FN3O3

HCID23153413

未命名化合物

PRODUCTS

生成物

结构：CN1CC(N2CCN(C(=O)Nc3cc(Oc4ccc([N+](=O)[O-])cc4F)ccn3)CC2)C1

HCID57677413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33d2f0e819c94ed69b677c00205ce55b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:32][N:33]1[CH2:34][CH:35]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[CH2:36]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:19][C:20](=[O:21])[O:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[ClH:29].[ClH:30].[ClH:31].[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH2:11])[n:8][cH:9][cH:10]2)[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1.[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:43].[OH2:50]>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:20](=[O:21])[N:40]3[CH2:39][CH2:38][N:37]([CH:35]4[CH2:34][N:33]([CH3:32])[CH2:36]4)[CH2:42][CH2:41]3)[n:8][cH:9][cH:10]2)[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1