HRID1550613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID23152998

未命名化合物

HCID23153198

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

C11H8FN3O3

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)N1CCN(CCN2CCC2)CC1

HCID57677387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8092783ad98c4e729785097f34aae9f5
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

[CH3:49][OH:50].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[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.[N:32]1([CH2:36][CH2:37][N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[CH2:33][CH2:34][CH2:35]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:20](=[O:21])[N:41]3[CH2:40][CH2:39][N:38]([CH2:37][CH2:36][N:32]4[CH2:33][CH2:34][CH2:35]4)[CH2:43][CH2:42]3)[n:8][cH:9][cH:10]2)[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1