Dichloromethane → 2-(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

HRID 1139910Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:52][OH:53])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([N:38]6[CH2:39][C:40]7([CH2:41][N:42]([C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[CH2:43]7)[CH2:51]6)[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[n:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1.[Cl:61][CH2:62][Cl:63].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:52][OH:53])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([N:38]6[CH2:39][C:40]7([CH2:41][NH:42][CH2:43]7)[CH2:51]6)[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[n:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 66742571tert-butyl 6-(6-(6-(3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-ylamino)pyridin-3-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

Product 1

HCID 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

Sources & evidence

ORD record: ord-9acec93f21544db1be364514d2261858
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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