Ethanol → HCID 178435411, compound

HRID 690621Notes

Reaction equation

HRID 690621 reaction equation
[Br:1][c:2]1[c:3]([O:28][CH3:29])[cH:4][c:5]2[cH:6][cH:7][n:8][c:9]([O:12][CH:13]3[CH2:14][CH:15]([C:25](=[O:26])[OH:27])[N:16]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:17]3)[c:10]2[cH:11]1.[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[CH3:37][CH2:38][OH:39].[OH2:36]>>[c:2]1([CH:30]=[CH2:31])[c:3]([O:28][CH3:29])[cH:4][c:5]2[cH:6][cH:7][n:8][c:9]([O:12][CH:13]3[CH2:14][CH:15]([C:25](=[O:26])[OH:27])[N:16]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:17]3)[c:10]2[cH:11]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 178486658HCID 178486658, compound

Product 1

HCID 178435411HCID 178435411, compound

Sources & evidence

ORD record
ord-36b7eec8144448ae9ee714c3f79cb706
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…