Acetone → HCID 21488616, compound

HRID 1137730Notes

Reaction equation

HRID 1137730 reaction equation
[CH3:27][C:28](=[O:29])[CH3:30].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:16]2[c:17]([CH2:22][Cl:23])[n:18][n:19][c:20]2[CH3:21])[c:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15]1.[I-:25].[Na+:24].[OH2:26]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:16]2[c:17]([CH2:22][I:25])[n:18][n:19][c:20]2[CH3:21])[c:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 30165Iodide IonHCID 21488575(5-Chloro-2-(3-(chloromethyl)-5-methyl-4H-1,2,4-triazol-4-yl)phenyl)(phenyl)methanone

Product 1

HCID 21488616HCID 21488616, compound

Sources & evidence

ORD record
ord-ab1e2127f3574360a89a571630383d6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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