Chloride → 4-[3,5-Dimethyl-4-methoxyphenyl)butanol

HRID 1213065Notes

Reaction equation

HRID 1213065 reaction equation
[Al+3:19].[BH3:25].[C:26](=[O:27])([OH:28])[O-:29].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH2:46]([Cl:47])[Cl:48].[CH3:1][c:2]1[c:3]([O:9][CH3:10])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:22][S:23][CH3:24].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl-:18].[Cl-:20].[Cl-:21].[Na+:30].[O:11]=[C:12]1[CH2:13][CH2:14][C:15](=[O:17])[O:16]1.[O:31]([OH:32])[OH:33].[OH2:49]>>[CH3:1][c:2]1[c:3]([O:9][CH3:10])[c:4]([CH3:8])[cH:5][c:6]([CH2:15][CH2:14][CH2:13][CH2:12][OH:11])[cH:7]1

Participants

14

Reactant 13

HCID 312Chloride3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1068Dimethyl SulfideHCID 1140TolueneHCID 6331BoraneHCID 6344DichloromethaneHCID 7922Succinic anhydrideHCID 8028TetrahydrofuranHCID 660882,6-DimethylanisoleHCID 104727Aluminum CationHCID 166717Trioxidane

Product 1

HCID 198945574-[3,5-Dimethyl-4-methoxyphenyl)butanol

Sources & evidence

ORD record
ord-b6c23064c36c44338690c700bf7f0e89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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