Sodium ion → 1-(5-Methyl-1,3-dioxan-5-yl)-1-n-propoxy-2-(1,2,4-triazol-1-yl)-3-(4-chlorophenyl)-propane

HRID 212406

Reaction equation

HRID 212406 reaction equation
[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:1][C:2]1([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[n:18]2[n:19][cH:20][n:21][cH:22]2)[OH:23])[CH2:3][O:4][CH2:5][O:6][CH2:7]1.[Cl:24][CH2:25][CH2:26][CH3:27].[Na+:29].[OH-:28].[OH2:52].[S:30](=[O:31])(=[O:32])([OH:33])[O-:34]>>[CH3:1][C:2]1([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[n:18]2[n:19][cH:20][n:21][cH:22]2)[O:23][CH2:25][CH2:26][CH3:27])[CH2:3][O:4][CH2:5][O:6][CH2:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 108991-ChloropropaneHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 128556541-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-(4-chlorophenyl)-propan-1-ol

Product 1

HCID 128556551-(5-Methyl-1,3-dioxan-5-yl)-1-n-propoxy-2-(1,2,4-triazol-1-yl)-3-(4-chlorophenyl)-propane

Sources & evidence

ORD record
ord-f1881010e5d547e884e46e1269390004
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

Loading…