2-(4-Fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxylic acid → HCID 86615605, compound

HRID 191526Notes

Reaction equation

HRID 191526 reaction equation
[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([CH2:24][n:25]2[n:26][c:27]([NH:43][CH:44]3[CH2:45][CH2:46][N:47]([CH2:50][CH2:51][F:52])[CH2:48][CH2:49]3)[c:28]3[c:29]2[n:30][cH:31][cH:32][c:33]3[O:34][c:35]2[c:36]([F:42])[cH:37][c:38]([NH2:41])[cH:39][cH:40]2)[cH:53][cH:54]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[c:13]2=[O:14])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][cH:11][c:12]([C:15](=[O:17])[NH:41][c:38]3[cH:37][c:36]([F:42])[c:35]([O:34][c:33]4[c:28]5[c:27]([NH:43][CH:44]6[CH2:45][CH2:46][N:47]([CH2:50][CH2:51][F:52])[CH2:48][CH2:49]6)[n:26][n:25]([CH2:24][c:23]6[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:54][cH:53]6)[c:29]5[n:30][cH:31][cH:32]4)[cH:40][cH:39]3)[c:13]2=[O:14])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 667671712-(4-Fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxylic acidHCID 866156041-(4-methoxybenzyl)-4-(4-amino-2-fluorophenoxy)-N-(1-(2-fluoroethyl)piperidin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine

Product 1

HCID 86615605HCID 86615605, compound

Sources & evidence

ORD record
ord-915acabc5a69420d91664fbed2abce33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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