Acetic Acid → HCID 11978162, compound

HRID 1546052Notes

Reaction equation

HRID 1546052 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](-[c:16]4[c:17]([CH2:30][CH3:31])[cH:18][c:19]([CH2:21][N:22]5[CH2:23][CH:24]([C:26](=[O:27])[O:28][CH3:29])[CH2:25]5)[s:20]4)[n:14][o:15]3)[cH:9][cH:10]2)[cH:32][cH:33][cH:34][cH:35]1.[Li+:38].[OH-:37].[OH2:36].[OH:43][C:44]([C:45](=[O:46])[OH:47])=[O:48]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](-[c:16]4[c:17]([CH2:30][CH3:31])[cH:18][c:19]([CH2:21][N:22]5[CH2:23][CH:24]([C:26](=[O:27])[OH:28])[CH2:25]5)[s:20]4)[n:14][o:15]3)[cH:9][cH:10]2)[cH:32][cH:33][cH:34][cH:35]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 961HydroxideHCID 962WaterHCID 971Oxalic AcidHCID 28486Lithium ionHCID 68523753HCID 68523753, compound

Product 1

HCID 11978162HCID 11978162, compound

Sources & evidence

ORD record
ord-4cdf98cdd4dd4a8ca38d8d74651868ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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