Sodium ion → HCID 178440537, compound

HRID 2143792Notes

Reaction equation

HRID 2143792 reaction equation
[Al+3:36].[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]12[CH:6]([OH:24])[CH2:7][CH2:8][CH:9]1[CH:10]1[CH:11]([CH2:12][CH2:13]2)[C:14]2=[C:19]([CH2:18][C:17]([O:22][CH3:23])=[CH:16][CH2:15]2)[CH2:20][CH2:21]1.[CH3:32][CH:33]([CH3:34])[O-:35].[CH3:37][CH:38]([CH3:39])[O-:40].[CH3:41][CH:42]([CH3:43])[O-:44].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Na+:45].[Na+:46].[O-:47][S:48](=[O:49])(=[O:50])[O-:51].[O:25]=[C:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:59]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]12[C:6](=[O:24])[CH2:7][CH2:8][CH:9]1[CH:10]1[CH:11]([CH2:12][CH2:13]2)[C:14]2=[C:19]([CH2:18][C:17]([O:22][CH3:23])=[CH:16][CH2:15]2)[CH2:20][CH2:21]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1117Sulfate IonHCID 1140TolueneHCID 7967CyclohexanoneHCID 104727Aluminum CationHCID 3260420Isopropanolate3×HCID 178440538HCID 178440538, compound

Product 1

HCID 178440537HCID 178440537, compound

Sources & evidence

ORD record
ord-af6a0a0423e94487be379cc9c843a2dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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