Sodium ion → HCID 14058202, compound

HRID 1128824Notes

Reaction equation

HRID 1128824 reaction equation
[Al+3:27].[CH2:1]([CH3:2])[C:3]12[CH:4]([OH:22])[CH2:5][CH2:6][CH:7]1[CH:8]1[CH:9]([CH2:10][CH2:11]2)[C:12]2=[C:17]([CH2:16][C:15]([O:20][CH3:21])=[CH:14][CH2:13]2)[CH2:18][CH2:19]1.[CH3:23][CH:24]([CH3:25])[O-:26].[CH3:28][CH:29]([CH3:30])[O-:31].[CH3:32][CH:33]([CH3:34])[O-:35].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Na+:43].[Na+:44].[O-:45][S:46](=[O:47])(=[O:48])[O-:49].[O:36]=[C:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:50]>>[CH2:1]([CH3:2])[C:3]12[C:4](=[O:22])[CH2:5][CH2:6][CH:7]1[CH:8]1[CH:9]([CH2:10][CH2:11]2)[C:12]2=[C:17]([CH2:16][C:15]([O:20][CH3:21])=[CH:14][CH2:13]2)[CH2:18][CH2:19]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1117Sulfate IonHCID 1140TolueneHCID 7967CyclohexanoneHCID 104727Aluminum CationHCID 3260420Isopropanolate3×HCID 12598348HCID 12598348, compound

Product 1

HCID 14058202HCID 14058202, compound

Sources & evidence

ORD record
ord-0882004fdad540bfba2bbb6fc2d6bb3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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