Acetic Acid → HCID 44194822, compound

HRID 189992Notes

Reaction equation

HRID 189992 reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH3:1][O:2][C:3]([CH2:4][NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][n:15][cH:16][c:17](-[c:19]3[c:20]4[c:21]([n:22][c:23](-[c:25]5[n:26][c:27]([CH3:31])[cH:28][cH:29][cH:30]5)[cH:24]3)[nH:32][cH:33][cH:34]4)[cH:18]2)[cH:11][cH:12]1)=[O:35].[CH3:43][OH:44].[Na+:37].[OH-:36].[OH2:38]>>[O:2]=[C:3]([CH2:4][NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][n:15][cH:16][c:17](-[c:19]3[c:20]4[c:21]([n:22][c:23](-[c:25]5[n:26][c:27]([CH3:31])[cH:28][cH:29][cH:30]5)[cH:24]3)[nH:32][cH:33][cH:34]4)[cH:18]2)[cH:11][cH:12]1)[OH:35]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 44193862HCID 44193862, compound

Product 1

HCID 44194822HCID 44194822, compound

Sources & evidence

ORD record
ord-7861334d9a6d4749bf8da2d21c65bd70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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