Ethanol → 4-Hydroxy-benzo[b]thiophene-7-carboxaldehyde

HRID 1116713Notes

Reaction equation

HRID 1116713 reaction equation
[C:37]([O:38][CH:39]([CH3:40])[CH3:41])(=[O:42])[CH3:43].[CH2:16]([NH+:17]([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28].[CH3:29][CH2:30][OH:31].[Fe+3:44].[Fe+3:45].[O-:46][S:47](=[O:48])(=[O:49])[O-:50].[O-:51][S:52](=[O:53])(=[O:54])[O-:55].[O-:56][S:57](=[O:58])(=[O:59])[O-:60].[OH2:61].[OH:1][CH:2]([C:3]([O-:4])=[O:5])[c:6]1[cH:7][cH:8][c:9]([OH:15])[c:10]2[c:11]1[s:12][cH:13][cH:14]2.[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[O:1]=[CH:2][c:6]1[cH:7][cH:8][c:9]([OH:15])[c:10]2[c:11]1[s:12][cH:13][cH:14]2

Participants

9

Reactant 8

HCID 702EthanolHCID 962WaterHCID 1117Sulfate Ion3×HCID 1118Sulfuric AcidHCID 7915Isopropyl AcetateHCID 29936Ferric cation2×HCID 3724478TributylammoniumHCID 178525965HCID 178525965, compound

Product 1

HCID 111829574-Hydroxy-benzo[b]thiophene-7-carboxaldehyde

Sources & evidence

ORD record
ord-21809aec2ce347478705bc3a80a94c68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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