HRID1125155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID944

Nitric Acid

HNO3

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12

HCID135398744

Sildenafil

C22H30N6O4S

PRODUCTS

生成物

HCID943

Nitrate

NO3-

HCID135398744

Sildenafil

C22H30N6O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b06f48f130b64b10aedf17b45d046c70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][CH2:2][CH2:3][c:4]1[n:5][n:6]([CH3:7])[c:8]2[c:9]1[n:10][c:11](-[c:15]1[cH:16][c:17]([S:24](=[O:25])(=[O:26])[N:27]3[CH2:28][CH2:29][N:30]([CH3:31])[CH2:32][CH2:33]3)[cH:18][cH:19][c:20]1[O:21][CH2:22][CH3:23])[nH:12][c:13]2=[O:14].[CH3:38][C:39]#[N:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH:34][N+:35]([O-:36])=[O:37]>>[CH3:1][CH2:2][CH2:3][c:4]1[n:5][n:6]([CH3:7])[c:8]2[c:9]1[n:10][c:11](-[c:15]1[cH:16][c:17]([S:24](=[O:25])(=[O:26])[N:27]3[CH2:28][CH2:29][N:30]([CH3:31])[CH2:32][CH2:33]3)[cH:18][cH:19][c:20]1[O:21][CH2:22][CH3:23])[nH:12][c:13]2=[O:14].[O:34]=[N+:35]([O-:36])[O-:37]