Acetic Acid → HCID 10413846, compound

HRID 2136826Notes

Reaction equation

HRID 2136826 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:35][C:36]([OH:37])=[O:38].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]3[n:11]([CH2:27][CH2:28][S:29][c:30]4[n:31][n:32][cH:33][nH:34]4)[c:12]4[cH:13][cH:14][c:15]([OH:26])[cH:16][c:17]4[c:18]3[c:19]3[c:20]2[C:21](=[O:25])[NH:22][C:23]3=[O:24])[cH:4][cH:5][cH:6][cH:7]1.[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51].[OH:39][OH:40]>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]3[n:11]([CH2:27][CH2:28][S:29]([c:30]4[nH:31][n:32][cH:33][n:34]4)=[O:37])[c:12]4[cH:13][cH:14][c:15]([OH:26])[cH:16][c:17]4[c:18]3[c:19]3[c:20]2[C:21](=[O:25])[NH:22][C:23]3=[O:24])[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 178518243HCID 178518243, compound

Product 1

HCID 10413846HCID 10413846, compound

Sources & evidence

ORD record
ord-403e60d523e640c1b3501e091c6169c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…