Ethanol → HCID 178452059, compound

HRID 2339716Notes

Reaction equation

HRID 2339716 reaction equation
[CH3:39][CH2:40][OH:41].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[H:27][H:28].[IH:29].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([cH:25][cH:26]1)[S:8][CH2:9][CH2:10][N:11]2[CH:12]1[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[Pd:53].[s:30]1[c:31]([C:35](=[NH:36])[S:37][CH3:38])[cH:32][cH:33][cH:34]1>>[NH:1]([c:4]1[cH:5][c:6]2[c:7]([cH:25][cH:26]1)[S:8][CH2:9][CH2:10][N:11]2[CH:12]1[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]1)[C:35]([c:31]1[s:30][cH:34][cH:33][cH:32]1)=[NH:36]

Participants

9

Reactant 8

HCID 702EthanolHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23938PalladiumHCID 24841Hydrogen iodideHCID 10487134Methyl thiophene-2-carbimidothioateHCID 59144181HCID 59144181, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 178452059HCID 178452059, compound

Sources & evidence

ORD record
ord-cafc23b5229746d3a378544f0a38664c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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