Acetic Acid → HCID 68517236, compound

HRID 682073Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 177Acetaldehyde

HCID 8028Tetrahydrofuran

HCID 68515107N-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-4-(4-fluorophenyl)-3-oxo-3,4-dihydropyrazine-2-carboxamide

Product 1

HCID 68517236HCID 68517236, compound

Sources & evidence

ORD record: ord-79ca6ec337c04f94b35dc0925f39cc88
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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