Acetic Acid → HCID 19607926, compound

HRID 177317Notes

Reaction equation

HRID 177317 reaction equation
[CH3:31][C:32](=[O:33])[O:34][C:35](=[O:36])[CH3:37].[CH3:45][C:46](=[O:47])[OH:48].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][CH2:16][CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[cH:24][cH:25]2)[cH:26][cH:27][c:28]([NH2:30])[cH:29]1.[Na+:44].[OH-:43].[S:38](=[O:39])(=[O:40])([OH:41])[OH:42]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][CH2:16][CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[cH:24][cH:25]2)[cH:26][cH:27][c:28]([NH:30][C:32]([CH3:31])=[O:33])[cH:29]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 1118Sulfuric AcidHCID 7918Acetic AnhydrideHCID 19607946HCID 19607946, compound

Product 1

HCID 19607926HCID 19607926, compound

Sources & evidence

ORD record
ord-6348437b2b374bbaacec29e036bda5ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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