HRID1554252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID23925

Iron

结构：O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)N1CCCC1

HCID23153011

N-[4-(2-Fluoro-4-nitrophenoxy)-2-pyridinyl]-1-pyrrolidinecarboxamide

C16H15FN4O4

PRODUCTS

生成物

结构：Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1

HCID23153058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f17b7c439d224024a329a55fe8d110af
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

[C:33]([O:34][CH2:35][CH3:36])(=[O:37])[CH3:38].[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:51][CH2:52][OH:53].[Cl-:26].[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[N:14]3[CH2:15][CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][cH:10]2)[cH:19][cH:20][c:21]([N+:23]([O-:24])=[O:25])[cH:22]1.[Fe:54].[NH4+:27].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[N:14]3[CH2:15][CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][cH:10]2)[cH:19][cH:20][c:21]([NH2:23])[cH:22]1