HRID175569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID419223

4-Aminotetrahydropyran

C5H11NO

结构：COc1ccc(CNc2ccc(C#N)cc2Nc2ncc([N+](=O)[O-])c(SC#N)n2)c(OC)c1

HCID56605211

2-(5-Cyano-2-{[(2,4-dimethoxyphenyl)methyl]amino}anilino)-5-nitropyrimidin-4-yl thiocyanate

C21H17N7O4S

PRODUCTS

生成物

结构：COc1ccc(CNc2ccc(C#N)cc2Nc2ncc([N+](=O)[O-])c(NC3CCOCC3)n2)c(OC)c1

HCID59705005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7580058c4fc4830a90ca488ffd090df
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

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