Ethanol → HCID 19386910, compound

HRID 2327213Notes

Reaction equation

HRID 2327213 reaction equation
[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][CH2:36][OH:37].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:21]1)[CH:9]1[C:10]([CH2:16][NH:17][C:18]([CH3:19])=[O:20])([C:11]([CH3:13])([CH3:14])[O:12]2)[O:15]1.[NH:22]1[C:23](=[O:27])[CH2:24][CH2:25][CH2:26]1.[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:28]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:21]1)[C:9]([N:22]1[C:23](=[O:27])[CH2:24][CH2:25][CH2:26]1)=[C:10]([CH2:16][NH:17][C:18]([CH3:19])=[O:20])[C:11]([CH3:13])([CH3:14])[O:12]2

Participants

7

Reactant 6

HCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 120252-PyrrolidoneHCID 312751,4-DioxaneHCID 19386997HCID 19386997, compound

Product 1

HCID 19386910HCID 19386910, compound

Sources & evidence

ORD record
ord-1acce7f7460e4f71ab5c49a3012bb3ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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