Hydrochloric Acid → Tebuconazole

HRID 119548

Reaction equation

HRID 119548 reaction equation
[CH3:30][S:31]([CH3:32])=[O:33].[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][C:16]2([C:19]([CH3:20])([CH3:21])[CH3:22])[O:17][CH2:18]2)[cH:12][cH:13]1.[ClH:28].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:29].[nH:23]1[n:24][cH:25][n:26][cH:27]1>>[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][C:16]([OH:17])([CH2:18][n:23]2[n:24][cH:25][n:26][cH:27]2)[C:19]([CH3:20])([CH3:21])[CH3:22])[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 962WaterHCID 92571H-1,2,4-TriazoleHCID 19660Carbonate IonHCID 946842-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane

Product 1

HCID 86102Tebuconazole

Sources & evidence

ORD record
ord-261ea6b28ad64a02b109282ba7e7d4e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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