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 668129Notes

Reaction equation

HRID 668129 reaction equation
[C:2]([N:6]([C:3](=[O:4])[O-:5])[CH2:10][CH2:11][CH2:12][c:13]1[cH:14][n:15][c:16]([CH3:40])[c:17]([NH:19][c:20]2[n:21][cH:22][c:23]3[c:29]([n:30]2)-[c:28]2[c:27]([cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:31]2)[NH:26][C:25](=[O:39])[CH2:24]3)[cH:18]1)([CH3:7])([CH3:8])[CH3:9].[ClH:1].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[NH2:6][CH2:10][CH2:11][CH2:12][c:13]1[cH:14][n:15][c:16]([CH3:40])[c:17]([NH:19][c:20]2[n:21][cH:22][c:23]3[c:29]([n:30]2)-[c:28]2[c:27]([cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:31]2)[NH:26][C:25](=[O:39])[CH2:24]3)[cH:18]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 178432739HCID 178432739, compound

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-2732b361cb614bbaa1ff5ff63d7721d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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