HRID803805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID16244403

8-Fluoro-3,4-dihydro-2H-1-benzopyran-4-amine

C9H10FNO

结构：CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ncc([N+](=O)[O-])c(SC#N)n1

HCID59704889

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ncc([N+](=O)[O-])c(NC2CCOc3c(F)cccc32)n1

HCID66970498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a26332aad0d4fc9b67dc9b9d612bbc1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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