Hydrochloric Acid → 2-{[5-(3-aminopropyl)-2-methylpyridin-3-yl]amino}-9-(trifluoromethyl)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-one

HRID 935906Notes

Reaction equation

HRID 935906 reaction equation
[CH3:2][c:3]1[c:4]([NH:20][c:21]2[n:22][cH:23][c:24]3[c:30]([n:31]2)-[c:29]2[c:28]([cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:32]2)[NH:27][C:26](=[O:40])[CH2:25]3)[cH:5][c:6]([CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:7][n:8]1.[ClH:1].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[CH3:2][c:3]1[c:4]([NH:20][c:21]2[n:22][cH:23][c:24]3[c:30]([n:31]2)-[c:29]2[c:28]([cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:32]2)[NH:27][C:26](=[O:40])[CH2:25]3)[cH:5][c:6]([CH2:9][CH2:10][CH2:11][NH2:12])[cH:7][n:8]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 68222737tert-butyl[3-(6-methyl-5-{[6-oxo-9-(trifluoromethyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl]amino}pyridin-3-yl)propyl]carbamate

Product 1

HCID 594050242-{[5-(3-aminopropyl)-2-methylpyridin-3-yl]amino}-9-(trifluoromethyl)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-one

Sources & evidence

ORD record
ord-ccb53394caeb4fd28983c787927e04dd
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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