Acetic Acid → HCID 59599114, compound

HRID 2144994Notes

Reaction equation

HRID 2144994 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([c:15]2[cH:16][c:17]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH3:29][C:30]([OH:31])=[O:32].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:25][CH2:26][C:27]#[N:28].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([c:15]2[cH:16][c:17]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:18][cH:19][cH:20]2)([NH:28][C:27]([CH2:26][Cl:25])=[O:31])[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 1118Sulfuric AcidHCID 7856ChloroacetonitrileHCID 8857Ethyl AcetateHCID 49760216HCID 49760216, compound

Product 1

HCID 59599114HCID 59599114, compound

Sources & evidence

ORD record
ord-13b3c6fe46b346f288e7cc463de36c90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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