Potassium Cation → HCID 44514684, compound

HRID 1122488Notes

Reaction equation

HRID 1122488 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[Cl:23])[CH2:12][CH2:13]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([OH:35])[c:32]([CH3:34])[n:33]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[K+:40].[K+:41].[OH2:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:35][c:31]2[cH:30][cH:29][c:28]([S:25]([CH3:24])(=[O:26])=[O:27])[n:33][c:32]2[CH3:34])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 57964905Tert-butyl 4-(4-chloro-1H-pyrazolo[3,4-D]pyrimidin-1-YL)piperidine-1-carboxylateHCID 57964970HCID 57964970, compound

Product 1

HCID 44514684HCID 44514684, compound

Sources & evidence

ORD record
ord-548410a8b07d485e8791f9e25fff2b98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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