Ethanol → HCID 66639691, compound

HRID 1151838Notes

Reaction equation

HRID 1151838 reaction equation
[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH3:53][CH2:54][OH:55].[CH:48]([CH:49]([CH3:50])[CH3:51])=[O:52].[CH:7]1([c:13]2[c:14]3[cH:15][cH:16][c:17]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:18][c:19]3[n:20]3[c:21]2-[c:22]2[c:23]([cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]2)[CH:24]=[C:25]([C:27]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])=[O:34])[CH2:26]3)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1>>[CH:7]1([c:13]2[c:14]3[cH:15][cH:16][c:17]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:18][c:19]3[n:20]3[c:21]2-[c:22]2[c:23]([cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]2)[CH:24]=[C:25]([C:27]([C:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])=[CH:48][CH:49]([CH3:50])[CH3:51])=[O:34])[CH2:26]3)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6561IsobutyraldehydeHCID 8082PiperidineHCID 59133793HCID 59133793, compound

Product 1

HCID 66639691HCID 66639691, compound

Sources & evidence

ORD record
ord-fbb7c2009af8463990420cc0f652d9a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…