Acetic Acid → HCID 11198003, compound

HRID 156623Notes

Reaction equation

HRID 156623 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[c:14]([CH2:33][OH:34])[cH:15][c:16]([CH:19]([CH2:20][NH:21][C:22]([CH2:23][CH2:24][n:25]2[cH:26][n:27][n:28][cH:29]2)([CH3:30])[CH3:31])[OH:32])[cH:17][cH:18]1.[CH3:37][OH:38].[H:35][H:36]>>[OH:12][c:13]1[c:14]([CH2:33][OH:34])[cH:15][c:16]([CH:19]([CH2:20][NH:21][C:22]([CH2:23][CH2:24][n:25]2[cH:26][n:27][n:28][cH:29]2)([CH3:30])[CH3:31])[OH:32])[cH:17][cH:18]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 68877754HCID 68877754, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 11198003HCID 11198003, compound

Sources & evidence

ORD record
ord-b49dd8d26418456080aa3d39f2360f06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…