Potassium Cation → Piperiacetildenafil

HRID 1210626Notes

Reaction equation

HRID 1210626 reaction equation
[Br:7][CH2:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([O:31][CH2:32][CH3:33])[c:15](-[c:17]2[nH:18][c:19](=[O:30])[c:20]3[c:21]([n:22]2)[c:23]([CH2:27][CH2:28][CH3:29])[n:24][n:25]3[CH3:26])[cH:16]1.[C:34](=[O:35])([O-:36])[O-:37].[C:46]([O:47][CH2:48][CH3:49])(=[O:50])[CH3:51].[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:52][C:53]#[N:54].[K+:38].[K+:39]>>[CH2:1]1[CH2:2][CH2:3][N:4]([CH2:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:31][CH2:32][CH3:33])[c:15](-[c:17]3[nH:18][c:19](=[O:30])[c:20]4[c:21]([n:22]3)[c:23]([CH2:27][CH2:28][CH3:29])[n:24][n:25]4[CH3:26])[cH:16]2)[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8058HexaneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 1357385501,4-Dihydro-5-[5-bromoacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one

Product 1

HCID 135564757Piperiacetildenafil

Sources & evidence

ORD record
ord-6bb199ad421d4cd4800bd3902f64e164
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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