Acetic Acid → HCID 22496457, compound

HRID 1136858Notes

Reaction equation

HRID 1136858 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([N:14]([CH2:15][c:16]2[cH:17][c:18]3[c:26]([cH:27][cH:28]2)-[c:25]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19]3)[c:29]2[s:30][cH:31][c:32](-[c:34]3[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]3)[n:33]2)[cH:12][cH:13]1)=[O:41])=[O:42].[CH3:45][C:46](=[O:47])[OH:48].[CH3:50][CH2:51][OH:52].[Na+:44].[OH-:43].[OH2:49]>>[O:2]=[C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([N:14]([CH2:15][c:16]2[cH:17][c:18]3[c:26]([cH:27][cH:28]2)-[c:25]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19]3)[c:29]2[s:30][cH:31][c:32](-[c:34]3[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]3)[n:33]2)[cH:12][cH:13]1)=[O:41])[OH:42]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 42638013HCID 42638013, compound

Product 1

HCID 22496457HCID 22496457, compound

Sources & evidence

ORD record
ord-68e58c9dbe09409da74e95058dc09210
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…