Acetic Acid → HCID 67283751, compound

HRID 193300Notes

Reaction equation

HRID 193300 reaction equation
[CH3:1][c:2]1[c:3]2[c:4]([CH2:20][c:21]3[c:22](-[c:30]4[c:31]([C:40](=[O:41])[O:42][CH3:43])[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]5[cH:38][cH:39]4)[n:23][c:24]4[n:25]3[cH:26][cH:27][cH:28][cH:29]4)[cH:5][n:6]([CH2:11][CH2:12][O:13][CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18][O:19]3)[c:7]2[cH:8][cH:9][cH:10]1.[CH3:44][C:45](=[O:46])[OH:47].[Na+:49].[OH-:48].[OH2:50]>>[CH3:1][c:2]1[c:3]2[c:4]([CH2:20][c:21]3[c:22](-[c:30]4[c:31]([C:40](=[O:41])[O:42][CH3:43])[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]5[cH:38][cH:39]4)[n:23][c:24]4[n:25]3[cH:26][cH:27][cH:28][cH:29]4)[cH:5][n:6]([CH2:11][CH2:12][OH:13])[c:7]2[cH:8][cH:9][cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 67283567HCID 67283567, compound

Product 1

HCID 67283751HCID 67283751, compound

Sources & evidence

ORD record
ord-c20ebde220704f8fa1be6ebfef9a5072
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…