Benzoic Acid → 2-[[6-(3-Aminopiperidin-1-yl)-5-chloro-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile

HRID 1231660Notes

Reaction equation

HRID 1231660 reaction equation
[C:1]([OH:2])(=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[Cl:39][CH:40]([Cl:41])[Cl:42].[NH2:10][CH:11]1[CH2:12][N:13]([c:17]2[cH:18][c:19](=[O:34])[n:20]([CH3:33])[c:21](=[O:32])[n:22]2[CH2:23][c:24]2[c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30][cH:31]2)[CH2:14][CH2:15][CH2:16]1.[S:35]([Cl:36])([Cl:37])=[O:38]>>[NH2:10][CH:11]1[CH2:12][N:13]([c:17]2[c:18]([Cl:37])[c:19](=[O:34])[n:20]([CH3:33])[c:21](=[O:32])[n:22]2[CH2:23][c:24]2[c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30][cH:31]2)[CH2:14][CH2:15][CH2:16]1

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 6212ChloroformHCID 24386Thionyl ChlorideHCID 111635842-((6-(3-Amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)benzonitrile

Product 1

HCID 113148062-[[6-(3-Aminopiperidin-1-yl)-5-chloro-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile

Sources & evidence

ORD record
ord-c85c12aa5c314fbb988a4c2a2fd721db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…