Imidazole → Dechloroclotrimazole

HRID 2150293Notes

Reaction equation

HRID 2150293 reaction equation
[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[OH2:26].[c:6]1([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[Cl:25])[cH:7][cH:8][cH:9][cH:10][cH:11]1.[nH:1]1[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([C:12]([c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][n:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 795ImidazoleHCID 962WaterHCID 6456Trityl chlorideHCID 8857Ethyl Acetate

Product 1

HCID 618231Dechloroclotrimazole

Sources & evidence

ORD record
ord-8d8f4676e03c4c97bec53809619eea14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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