Ammonium → 1-(3-Chloro-phenyl)-3-methanesulfonyl-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-1,4,5,6-tetrahydro-pyrazolo[3,4-c]pyridin-7-one

HRID 302551Notes

Reaction equation

HRID 302551 reaction equation
[C:29]1(=[O:35])[CH2:30][CH2:31][CH2:32][CH2:33][NH:34]1.[C:36](=[O:37])([O-:38])[O-:39].[Cl:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([S:25](=[O:26])(=[O:27])[CH3:28])[c:11]3[c:12]2[C:13](=[O:24])[N:14]([c:17]2[cH:18][cH:19][c:20]([I:23])[cH:21][cH:22]2)[CH2:15][CH2:16]3)[cH:5][cH:6][cH:7]1.[Cl:59][CH2:60][Cl:61].[I-:42].[K+:40].[K+:41].[NH4+:57].[OH-:58].[cH:43]1[cH:44][c:45]2[cH:46][cH:47][c:48]3[c:49]([c:50]2[n:51][cH:52]1)[n:53][cH:54][cH:55][cH:56]3>>[Cl:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([S:25](=[O:26])(=[O:27])[CH3:28])[c:11]3[c:12]2[C:13](=[O:24])[N:14]([c:17]2[cH:18][cH:19][c:20]([N:34]4[C:29](=[O:35])[CH2:30][CH2:31][CH2:32][CH2:33]4)[cH:21][cH:22]2)[CH2:15][CH2:16]3)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 813Potassium Cation2×HCID 961HydroxideHCID 13181,10-PhenanthrolineHCID 6344DichloromethaneHCID 126652-PiperidoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 222404561-(3-Chloro-phenyl)-6-(4-iodo-phenyl)-3-methanesulfonyl-1,4,5,6-tetrahydro-pyrazolo[3,4-c]pyridin-7-one

Product 1

HCID 102287011-(3-Chloro-phenyl)-3-methanesulfonyl-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-1,4,5,6-tetrahydro-pyrazolo[3,4-c]pyridin-7-one

Sources & evidence

ORD record
ord-d895474c90774a9ab38a82b8895e1f88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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