Hydrochloric Acid → Hydrochloric Acid

HRID 171312Notes

Reaction equation

HRID 171312 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH:35]([OH:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[cH:3][c:4](=[O:19])[n:5]([CH3:18])[c:6](=[O:17])[n:7]1[CH2:8][c:9]1[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][cH:16]1.[ClH:20].[ClH:21].[K+:33].[K+:34].[NH2:22][CH:23]1[CH2:24][NH:25][CH2:26][CH2:27][CH2:28]1.[OH2:39]>>[ClH:1].[c:2]1([N:25]2[CH2:24][CH:23]([NH2:22])[CH2:28][CH2:27][CH2:26]2)[cH:3][c:4](=[O:19])[n:5]([CH3:18])[c:6](=[O:17])[n:7]1[CH2:8][c:9]1[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][cH:16]1

Participants

9

Reactant 7

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 3776IsopropanolHCID 19660Carbonate IonHCID 148119Piperidin-3-amineHCID 113464162-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

Product 2

HCID 313Hydrochloric AcidHCID 111635842-((6-(3-Amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)benzonitrile

Sources & evidence

ORD record
ord-20bfc4e9114a4d36be19c8cf5619ad0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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