HRID118032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID57415824

1-(5-Fluoropyridin-2-yl)ethan-1-amine

C7H9FN2

结构：CSc1nc(Nc2cc(C)[nH]n2)c([N+](=O)[O-])c(N2CCOCC2)n1

HCID68734536

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(NC(C)c3ccc(F)cn3)nc(N3CCOCC3)c2[N+](=O)[O-])n[nH]1

HCID178428343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-136a176d77474572b7417e76a103f904
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

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