Formaldehyde → 6-tert-butyl-8-fluoro-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(6-methyl-2,6-diaza-spiro[3.3]hept-2-yl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridazin-3-yl}-phenyl)-2H-phthalazin-1-one

HRID 152261Notes

Reaction equation

HRID 152261 reaction equation
[C:49]([BH3-:50])#[N:51].[CH2:1]1[N:2]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[cH:16][c:17](-[c:23]4[c:24]([CH2:45][OH:46])[c:25](-[n:29]5[c:30](=[O:44])[c:31]6[c:32]([F:43])[cH:33][c:34]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:35][c:36]6[cH:37][n:38]5)[cH:26][cH:27][cH:28]4)[n:18][n:19]([CH3:22])[c:20]3=[O:21])[n:12][cH:13]2)[CH2:3][C:4]12[CH2:5][NH:6][CH2:7]2.[CH2:47]=[O:48].[CH3:53][OH:54].[Na+:52]>>[CH2:1]1[N:2]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[cH:16][c:17](-[c:23]4[c:24]([CH2:45][OH:46])[c:25](-[n:29]5[c:30](=[O:44])[c:31]6[c:32]([F:43])[cH:33][c:34]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:35][c:36]6[cH:37][n:38]5)[cH:26][cH:27][cH:28]4)[n:18][n:19]([CH3:22])[c:20]3=[O:21])[n:12][cH:13]2)[CH2:3][C:4]12[CH2:5][N:6]([CH3:49])[CH2:7]2

Participants

6

Reactant 5

HCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 667419712-(3-(5-(5-(2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-2-(hydroxymethyl)phenyl)-6-tert-butyl-8-fluorophthalazin-1(2H)-one

Product 1

HCID 566556676-tert-butyl-8-fluoro-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(6-methyl-2,6-diaza-spiro[3.3]hept-2-yl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridazin-3-yl}-phenyl)-2H-phthalazin-1-one

Sources & evidence

ORD record
ord-f4f983ba65364bd789950c5a1ae59209
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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