Water → 4(1H)-Pyrimidinone, 5-((4-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-

HRID 173727Notes

Reaction equation

HRID 173727 reaction equation
[CH3:18][c:19]1[c:20]([CH2:24][S:25][CH2:26][CH2:27][NH2:28])[n:21][cH:22][nH:23]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[c:8](=[O:15])[nH:9][c:10]([S:13][CH3:14])[n:11][cH:12]2)[cH:16][cH:17]1.[OH2:29]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[c:8](=[O:15])[nH:9][c:10]([NH:28][CH2:27][CH2:26][S:25][CH2:24][c:20]3[c:19]([CH3:18])[nH:23][cH:22][n:21]3)[n:11][cH:12]2)[cH:16][cH:17]1

Participants

4

Reactant 3

HCID 962WaterHCID 6655684-(((2-Aminoethyl)thio)methyl)-5-methylimidazoleHCID 129459805-(4-Chlorobenzyl)-2-methylthiopyrimid-4-one

Product 1

HCID 30473014(1H)-Pyrimidinone, 5-((4-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-

Sources & evidence

ORD record
ord-f292bb123a9c447c813bd64340d736fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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