Acetaldehyde → HCID 86615334, compound

HRID 1148877Notes

Reaction equation

HRID 1148877 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([O:21][CH3:22])[c:5]([CH:9]([CH2:10][C:11]([CH2:12][OH:13])([OH:14])[C:15]([F:16])([F:17])[F:18])[CH2:19][CH3:20])[cH:6][cH:7][cH:8]1.[CH2:23]([c:24]1[c:25]([O:26][CH3:27])[c:28]([CH:29]([CH3:30])[CH:31]([CH3:32])[C:33]([C:34]([F:35])([F:36])[F:37])([OH:38])[CH2:39][OH:40])[cH:41][cH:42][cH:43]1)[CH3:44].[CH3:52][C:53]=[O:54].[Cl-:65].[NH4+:66].[OH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[S:55](=[O:56])(=[O:57])=[O:58].[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([O:21][CH3:22])[c:5]([CH:9]([CH2:10][C:11]([CH:12]=[O:13])([OH:14])[C:15]([F:16])([F:17])[F:18])[CH2:19][CH3:20])[cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 177AcetaldehydeHCID 223AmmoniumHCID 312ChlorideHCID 996PhenolHCID 1049PyridineHCID 24682Sulfur trioxideHCID 66969544HCID 66969544, compoundHCID 66969728HCID 66969728, compound

Product 1

HCID 86615334HCID 86615334, compound

Sources & evidence

ORD record
ord-6f5542c2e50e458f94663f9d9885e01f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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