Acetic Acid → HCID 14390404, compound

HRID 100661Notes

Reaction equation

HRID 100661 reaction equation
[CH3:23][C:24]([OH:25])=[O:26].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[n:16]2[CH2:17][C:18](=[O:19])[N:20]([CH3:21])[CH3:22])[cH:6][cH:7]1.[Cl:27][c:28]1[cH:29][cH:30][cH:31][c:32]([C:33]([O:34][OH:35])=[O:36])[cH:37]1.[OH2:38]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n+:12]([O-:25])[cH:13][cH:14][cH:15]3)[n:16]2[CH2:17][C:18](=[O:19])[N:20]([CH3:21])[CH3:22])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 70297m-Chloroperbenzoic acidHCID 14390220HCID 14390220, compound

Product 1

HCID 14390404HCID 14390404, compound

Sources & evidence

ORD record
ord-95772114bdf540d3a8100e3301f62a7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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