Hydrochloric Acid → 2-[2-amino-5-(hydroxyimino-methyl)-6-methylsulfanyl-pyrimidin-4-ylamino]-N-(3-trifluoromethyl-phenyl)-acetamide

HRID 173391Notes

Reaction equation

HRID 173391 reaction equation
[C:27](=[O:28])([OH:29])[O-:30].[CH3:35][OH:36].[ClH:34].[K+:31].[NH2:1][c:2]1[n:3][c:4]([S:25][CH3:26])[c:5]([CH:23]=[O:24])[c:6]([NH:8][CH2:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[n:7]1.[NH2:32][OH:33]>>[NH2:1][c:2]1[n:3][c:4]([S:25][CH3:26])[c:5]([CH:23]=[N:32][OH:33])[c:6]([NH:8][CH2:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[n:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 813Potassium CationHCID 887MethanolHCID 11176608HCID 11176608, compound

Product 1

HCID 724763122-[2-amino-5-(hydroxyimino-methyl)-6-methylsulfanyl-pyrimidin-4-ylamino]-N-(3-trifluoromethyl-phenyl)-acetamide

Sources & evidence

ORD record
ord-38332b55ee7d48aebfdf8d72b3f20cbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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