Acetic Acid → HCID 21705158, compound

HRID 1537638Notes

Reaction equation

HRID 1537638 reaction equation
[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH3:6][C:7]([OH:8])=[O:9].[F:10][c:11]1[cH:12][cH:13][c:14]([C:17]([C:18]#[N:19])([c:20]2[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]2)[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:15][cH:16]1.[NH4+:34].[OH-:35].[OH2:42].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[O:8]=[C:18]([C:17]([c:14]1[cH:13][cH:12][c:11]([F:10])[cH:16][cH:15]1)([c:20]1[cH:21][c:22]([F:26])[cH:23][cH:24][cH:25]1)[c:27]1[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]1)[NH2:19]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 8058HexaneHCID 21705156HCID 21705156, compound

Product 1

HCID 21705158HCID 21705158, compound

Sources & evidence

ORD record
ord-700ffda6d7bb454ab415688d55cff9d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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