Trifluoroacetic acid → HCID 178480053, compound

HRID 1568187Notes

Reaction equation

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

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 685153872-(cyclohexylmethyl)-5-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(morpholine-4-carbonyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methylpyrimidin-4(3H)-one

Product 1

HCID 178480053HCID 178480053, compound

Sources & evidence

ORD record: ord-c77949741a7046078d304c7824eb810b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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