HRID283026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID16768347

4-[(Pyrrolidin-1-yl)methyl]piperidine

C10H20N2

HCID23153198

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

C11H8FN3O3

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)N1CCC(CN2CCCC2)CC1

HCID86602173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77aca07ba10e49adbe41b56ff593346a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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