Ethanol → Methanesulfonic Acid

HRID 671471Notes

Reaction equation

HRID 671471 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH2:21]([CH3:22])[c:23]1[c:24]([CH2:25][Cl:26])[c:27]([CH3:32])[cH:28][c:29]([F:31])[cH:30]1.[CH2:55]([Cl:56])[Cl:57].[CH2:62]([Cl:63])[Cl:64].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:48][S:49]([OH:50])(=[O:51])=[O:52].[CH3:53][OH:54].[CH3:58][CH2:59][OH:60].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[K+:46].[K+:47].[NH2:6][c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2.[OH2:61]>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[NH:6]([c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2)[CH2:25][c:24]1[c:23]([CH2:21][CH3:22])[cH:30][c:29]([F:31])[cH:28][c:27]1[CH3:32]

Participants

13

Reactant 11

HCID 702EthanolHCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 6344Dichloromethane2×HCID 6395Methanesulfonic Acid2×HCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 98557898-Amino-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamideHCID 121489192-Ethyl-4-fluoro-6-methylbenzylchloride

Product 2

HCID 6395Methanesulfonic AcidHCID 99032438-[(2-Ethyl-4-fluoro-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-68269bc789d543bd86e301ea52f97fba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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