Hydrochloric Acid → N-(2-Fluoro-5-(6-oxo-5-(5-(2-oxopiperazin-1-yl)pyridin-2-ylamino)-1,6-dihydropyridazin-3-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
Reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH3:48][OH:49].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[ClH:50].[F:1][c:2]1[c:3]([NH:36][C:37](=[O:38])[c:39]2[cH:40][c:41]3[c:42]([s:43]2)[CH2:44][CH2:45][CH2:46][CH2:47]3)[cH:4][c:5](-[c:8]2[cH:9][c:10]([NH:15][c:16]3[cH:17][cH:18][c:19]([N:22]4[C:23](=[O:35])[CH2:24][N:25]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:26][CH2:27]4)[cH:20][n:21]3)[c:11](=[O:14])[nH:12][n:13]2)[cH:6][cH:7]1.[K+:55].[K+:56].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:63]>>[F:1][c:2]1[c:3]([NH:36][C:37](=[O:38])[c:39]2[cH:40][c:41]3[c:42]([s:43]2)[CH2:44][CH2:45][CH2:46][CH2:47]3)[cH:4][c:5](-[c:8]2[cH:9][c:10]([NH:15][c:16]3[cH:17][cH:18][c:19]([N:22]4[C:23](=[O:35])[CH2:24][NH:25][CH2:26][CH2:27]4)[cH:20][n:21]3)[c:11](=[O:14])[nH:12][n:13]2)[cH:6][cH:7]1Participants
9
Reactant 8
HCID 313Hydrochloric Acid
HCID 813Potassium Cation2×
HCID 887Methanol
HCID 962Water
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 58539996tert-Butyl 4-(6-(6-(4-Fluoro-3-(4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamido)phenyl)-3-oxo-2,3-dihydropyridazin-4-ylamino)pyridin-3-yl)-3-oxopiperazine-1-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-52b948eda0964691aa56ea8a29447850
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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