Trifluoroacetic acid → Trifluoroacetic acid

HRID 93991Notes

Reaction equation

HRID 93991 reaction equation
[F:1][c:2]1[cH:3][c:4](-[c:28]2[c:29](=[O:43])[n:30]([CH3:42])[c:31]([NH:34][c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[n:32][cH:33]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[n:15]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH3:25])[cH:26][cH:27]1)[n:16][c:17]2[CH3:18].[F:44][C:45]([C:46](=[O:47])[OH:48])([F:49])[F:50]>>[F:1][c:2]1[cH:3][c:4](-[c:28]2[c:29](=[O:43])[n:30]([CH3:42])[c:31]([NH:34][c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[n:32][cH:33]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[nH:15][n:16][c:17]2[CH3:18].[F:44][C:45]([C:46](=[O:47])[OH:48])([F:49])[F:50]

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 685163095-(3-fluoro-4-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one

Product 2

HCID 6422Trifluoroacetic acidHCID 178434446HCID 178434446, compound

Sources & evidence

ORD record
ord-efe2a4abedcf45abbeae11d1a4e78c70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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