Ethanol → HCID 178450777, compound

HRID 2319039Notes

Reaction equation

HRID 2319039 reaction equation
[C:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)(=[O:16])[N:17]1[CH:18]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:19][S:20][C:21]12[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:25][CH2:26]2.[CH3:1][CH2:2][OH:3].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Na+:40].[O:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1.[OH-:39].[OH2:47]>>[C:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)(=[O:16])[N:17]1[CH:18]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:19][S:20][C:21]12[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[OH:29])[CH2:25][CH2:26]2

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 178468606HCID 178468606, compound

Product 1

HCID 178450777HCID 178450777, compound

Sources & evidence

ORD record
ord-85bd8584199541a1bc4394b57f3f54fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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