Ethanol → Estra-1(10),2,4-triene-2,3,17-triol

HRID 1112953Notes

Reaction equation

HRID 1112953 reaction equation
[CH2:31]([Al+:32][CH2:33][CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39].[CH2:44]([OH:45])[CH3:46].[CH3:1][O:2][c:3]1[c:4]([OH:22])[cH:5][c:6]2[c:19]([cH:20]1)[CH:18]1[CH:9]([CH2:8][CH2:7]2)[CH:10]2[CH2:11][CH2:12][CH:13]([OH:21])[C:14]2([CH3:15])[CH2:16][CH2:17]1.[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:40][CH2:41][OH:42].[H-:30].[OH2:43]>>[OH:2][c:3]1[c:4]([OH:22])[cH:5][c:6]2[c:19]([cH:20]1)[CH:18]1[CH:9]([CH2:8][CH2:7]2)[CH:10]2[CH2:11][CH2:12][CH:13]([OH:21])[C:14]2([CH3:15])[CH2:16][CH2:17]1

Participants

7

Reactant 6

HCID 702Ethanol2×HCID 962WaterHCID 1140TolueneHCID 1573362-07-2HCID 166653HydrideHCID 16686348Bis(2-methylpropyl)alumanylium

Product 1

HCID 9684Estra-1(10),2,4-triene-2,3,17-triol

Sources & evidence

ORD record
ord-c640be3d6e8c439592f030aca075ef54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…