Acetic Acid → HCID 11295224, compound

HRID 1234833Notes

Reaction equation

HRID 1234833 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH3:41][C:42]#[N:43].[CH:34]([CH3:35])=[O:36].[F:1][C:2]([CH2:3][S:4](=[O:5])(=[O:6])[NH:7][C:8]([CH3:9])([CH3:10])[c:11]1[cH:12][c:13](-[c:17]2[cH:18][c:19]([CH2:23][NH:24][c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[n:20][n:21]2[CH3:22])[cH:14][cH:15][cH:16]1)([F:32])[F:33]>>[F:1][C:2]([CH2:3][S:4](=[O:5])(=[O:6])[NH:7][C:8]([CH3:9])([CH3:10])[c:11]1[cH:12][c:13](-[c:17]2[cH:18][c:19]([CH2:23][N:24]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:34][CH3:35])[n:20][n:21]2[CH3:22])[cH:14][cH:15][cH:16]1)([F:32])[F:33]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 6342AcetonitrileHCID 11167630HCID 11167630, compound

Product 1

HCID 11295224HCID 11295224, compound

Sources & evidence

ORD record
ord-2026a1982f6f4da7b1fd7e4570962a96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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