Acetic Acid → HCID 178441962, compound

HRID 1149096Notes

Reaction equation

HRID 1149096 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7][c:8]([S:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]2)[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH:18]([c:19]2[n:20][n:21][n:22][nH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:15][cH:16]1.[CH3:43][C:44](=[O:45])[OH:46].[OH:41][OH:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7][c:8]([S:30]([CH2:31][c:32]2[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]2)=[O:41])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH:18]([c:19]2[nH:20][n:21][n:22][n:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:15][cH:16]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 178441959HCID 178441959, compound

Product 1

HCID 178441962HCID 178441962, compound

Sources & evidence

ORD record
ord-ae98b08654bb4decacf0d7104b58b2e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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