Acetone → Pumaprazole

HRID 1538983Notes

Reaction equation

HRID 1538983 reaction equation
[CH3:21][O:22][C:23](=[O:24])[NH:25][c:26]1[c:27]([CH2:28][Cl:29])[c:30]([CH3:34])[cH:31][cH:32][cH:33]1.[CH3:35][C:36](=[O:37])[CH3:38].[I-:2].[NH2:9][c:10]1[c:11]2[n:12]([cH:13][cH:14][cH:15]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2.[Na+:1].[Na+:3].[Na+:4].[O-:5][C:6](=[O:7])[O-:8].[OH2:39]>>[NH:9]([c:10]1[c:11]2[n:12]([cH:13][cH:14][cH:15]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2)[CH2:28][c:27]1[c:26]([NH:25][C:23]([O:22][CH3:21])=[O:24])[cH:33][cH:32][cH:31][c:30]1[CH3:34]

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ion3×HCID 962WaterHCID 19660Carbonate IonHCID 30165Iodide IonHCID 143684802-Methyl-6-methoxycarbonylaminobenzyl chlorideHCID 218739802,3-Dimethylimidazo[1,2-a]pyridin-8-amine

Product 1

HCID 3052764Pumaprazole

Sources & evidence

ORD record
ord-2cd540948c564ef6b46654a73f31a6cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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