Imidazole → Dechloroclotrimazole

HRID 679446Notes

Reaction equation

HRID 679446 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[Cl:20].[CH2:33]([Cl:34])[Cl:35].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[nH:21]1[cH:22][n:23][cH:24][cH:25]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:21]1[cH:22][n:23][cH:24][cH:25]1

Participants

5

Reactant 4

HCID 795ImidazoleHCID 6344DichloromethaneHCID 6456Trityl chlorideHCID 8471Triethylamine

Product 1

HCID 618231Dechloroclotrimazole

Sources & evidence

ORD record
ord-e0fe48b1b17d43b798563caeb698a536
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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