Nitric Acid → Nitrate

HRID 1125155Notes

Reaction equation

HRID 1125155 reaction equation
[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]

Participants

6

Reactant 4

HCID 944Nitric AcidHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 135398744Sildenafil

Product 2

HCID 943NitrateHCID 135398744Sildenafil

Sources & evidence

ORD record
ord-b06f48f130b64b10aedf17b45d046c70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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