Acetic Acid → 5-(6-Chloro-3-pyridinyl)-1-[3-[1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione

HRID 176216Notes

Reaction equation

HRID 176216 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](=[O:19])[nH:10][c:11](=[O:18])[n:12]([CH2:14][CH2:15][CH:16]=[O:17])[cH:13]2)[cH:6][n:7]1.[F:20][C:21]([c:22]1[cH:23][cH:24][c:25]([C:28]23[CH2:29][NH:30][CH2:31][CH:32]2[CH2:33]3)[cH:26][cH:27]1)([F:34])[F:35].[Na+:37].[OH-:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](=[O:19])[nH:10][c:11](=[O:18])[n:12]([CH2:14][CH2:15][CH2:16][N:30]3[CH2:29][C:28]4([c:25]5[cH:24][cH:23][c:22]([C:21]([F:20])([F:34])[F:35])[cH:27][cH:26]5)[CH:32]([CH2:31]3)[CH2:33]4)[cH:13]2)[cH:6][n:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 127198481-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneHCID 589942093-[5-(6-Chloro-pyridin-3-yl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-propionaldehyde

Product 1

HCID 877419205-(6-Chloro-3-pyridinyl)-1-[3-[1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione

Sources & evidence

ORD record
ord-3097a03ac2b94c19b037b9b3624cf325
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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