Hydrochloric Acid → [3-[(3-Methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

HRID 684133Notes

Reaction equation

HRID 684133 reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH2:60]([Cl:61])[Cl:62].[CH3:30][O:31][CH:32]1[CH2:33][O:34][CH2:35][CH2:36][C:37]1=[O:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH:3]([CH3:4])([CH3:5])[C:6]1([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]3)[CH2:18][CH2:19]2)[CH2:7][CH:8]([NH2:11])[CH2:9][CH2:10]1.[ClH:1].[ClH:2].[Na+:59]>>[CH:3]([CH3:4])([CH3:5])[C:6]1([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]3)[CH2:18][CH2:19]2)[CH2:7][CH:8]([NH:11][CH:37]2[CH:32]([O:31][CH3:30])[CH2:33][O:34][CH2:35][CH2:36]2)[CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 235336103-Methoxyoxan-4-oneHCID 178439755HCID 178439755, compound

Product 1

HCID 68865973[3-[(3-Methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

Sources & evidence

ORD record
ord-4377242f13b64759af70f1df8253e0b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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