HRID189503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID61011

1,3-Propanediamine, N,N-diethyl-

C7H18N2

HCID23153198

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

C11H8FN3O3

PRODUCTS

生成物

结构：CCN(CC)CCCNC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1

HCID23153483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34fe7f4147854636b1cba4c90e8b68fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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