Potassium Cation → 2-[(5-chloro-1H-indol-3-yl)methyl]-5-(2-hydroxyethyl)-7-isobutyl-3-(1-methyl-1H-imidazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

HRID 2344814Notes

Reaction equation

HRID 2344814 reaction equation
[Br:33][CH2:34][CH2:35][OH:36].[C:37](=[O:38])([O-:39])[O-:40].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][n:12]3[n:13][c:14]4[n:15]([CH2:29][CH:30]([CH3:31])[CH3:32])[c:16](=[O:28])[nH:17][c:18](=[O:27])[c:19]4[c:20]3-[c:21]3[n:22]([CH3:26])[cH:23][cH:24][n:25]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1.[K+:41].[K+:42]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][n:12]3[n:13][c:14]4[n:15]([CH2:29][CH:30]([CH3:31])[CH3:32])[c:16](=[O:28])[n:17]([CH2:34][CH2:35][OH:36])[c:18](=[O:27])[c:19]4[c:20]3-[c:21]3[n:22]([CH3:26])[cH:23][cH:24][n:25]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 108982-BromoethanolHCID 19660Carbonate IonHCID 589809452-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-3-(1-methyl-1H-imidazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Product 1

HCID 589810312-[(5-chloro-1H-indol-3-yl)methyl]-5-(2-hydroxyethyl)-7-isobutyl-3-(1-methyl-1H-imidazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Sources & evidence

ORD record
ord-9c6a57d048ff4efa84aedb31562f2b43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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