Hydrochloric Acid → Trifluoroacetic acid

HRID 1126159Notes

Reaction equation

HRID 1126159 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:19])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([nH:14][c:15](=[O:17])[o:16]3)[cH:18]2)[n:7]1.[Cl:39][c:40]1[n:41][cH:42][cH:43][cH:44][n:45]1.[ClH:20].[F:21][c:22]1[c:23]([O:30][CH3:31])[cH:24][c:25]([NH2:29])[cH:26][c:27]1[CH3:28].[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38]>>[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38].[c:2]1([NH:29][c:25]2[cH:24][c:23]([O:30][CH3:31])[c:22]([F:21])[c:27]([CH3:28])[cH:26]2)[n:3][cH:4][c:5]([CH3:19])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([nH:14][c:15](=[O:17])[o:16]3)[cH:18]2)[n:7]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6422Trifluoroacetic acidHCID 744042-ChloropyrimidineHCID 580713875-(2-Chloro-5-methylpyrimidin-4-ylamino)benzo[d]oxazol-2(3H)-oneHCID 58071402HCID 58071402, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 468516252(3H)-Benzoxazolone, 5-[[2-[(4-fluoro-3-methoxy-5-methylphenyl)amino]-5-methyl-4-pyrimidinyl]amino]-

Sources & evidence

ORD record
ord-6e27cf852bba4f7ebb05985aea5279cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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