Hydrochloric Acid → 4-tert-Butyl-N-(2-methyl-3-(5-(6-morpholinopyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)benzamide

HRID 1127670Notes

Reaction equation

HRID 1127670 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:39])[c:14](-[c:18]3[cH:19][n:20][c:21]([O:37][CH3:38])[c:22]([NH:24][c:25]4[n:26][n:27][c:28]([N:31]5[CH2:32][CH2:33][O:34][CH2:35][CH2:36]5)[cH:29][cH:30]4)[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:40][cH:41]1.[ClH:48].[Na+:50].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH-:49].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:39])[c:14](-[c:18]3[cH:19][nH:20][c:21](=[O:37])[c:22]([NH:24][c:25]4[n:26][n:27][c:28]([N:31]5[CH2:32][CH2:33][O:34][CH2:35][CH2:36]5)[cH:29][cH:30]4)[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:40][cH:41]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 595578954-tert-Butyl-N-(3-(6-methoxy-5-(6-morpholinopyridazin-3-ylamino)pyridin-3-yl)-2-methylphenyl)benzamide

Product 1

HCID 249679844-tert-Butyl-N-(2-methyl-3-(5-(6-morpholinopyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)benzamide

Sources & evidence

ORD record
ord-d580d2ce7ae94622b7c022c550213bfa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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