Potassium Cation → 2-((4-chloro-5-iodo-2-pivalamido-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)-4-methoxy-3,5-dimethylpyridine 1-oxide

HRID 119936Notes

Reaction equation

HRID 119936 reaction equation
[Cl:19][CH2:20][c:21]1[n+:22]([O-:31])[cH:23][c:24]([CH3:30])[c:25]([O:28][CH3:29])[c:26]1[CH3:27].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[n:7]1)[nH:15][cH:16][c:17]2[I:18].[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[n:7]1)[n:15]([CH2:20][c:21]1[n+:22]([O-:31])[cH:23][c:24]([CH3:30])[c:25]([O:28][CH3:29])[c:26]1[CH3:27])[cH:16][c:17]2[I:18]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 15484841N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamideHCID 218829432-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide

Product 1

HCID 866082292-((4-chloro-5-iodo-2-pivalamido-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)-4-methoxy-3,5-dimethylpyridine 1-oxide

Sources & evidence

ORD record
ord-b8475723bc5844d78f2cc48494878f8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…