Sodium ion → 6-[2-[4-[[3-(2-Ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]-1,7-dimethylimidazo[1,2-a]pyrimidin-5-one

HRID 2320420Notes

Reaction equation

HRID 2320420 reaction equation
[CH2:16]([CH3:17])[O:18][CH2:19][CH2:20][n:21]1[c:22]([CH2:30][N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[n:23][c:24]2[c:25]1[n:26][cH:27][cH:28][cH:29]2.[CH3:43][CH:44]([CH3:45])[CH2:46][C:47](=[O:48])[CH3:49].[Cl:1][CH2:2][CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][n:13]2[CH3:14].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42]>>[CH2:2]([CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][n:13]2[CH3:14])[N:34]1[CH2:33][CH2:32][N:31]([CH2:30][c:22]2[n:21]([CH2:20][CH2:19][O:18][CH2:16][CH3:17])[c:25]3[c:24]([n:23]2)[cH:29][cH:28][cH:27][n:26]3)[CH2:36][CH2:35]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 19100910HCID 19100910, compoundHCID 19911564HCID 19911564, compound

Product 1

HCID 199115806-[2-[4-[[3-(2-Ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]-1,7-dimethylimidazo[1,2-a]pyrimidin-5-one

Sources & evidence

ORD record
ord-9ac130c41c7e4d329f2c3ebb0e821c32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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