Acetic Acid → HCID 21434136, compound

HRID 2157247Notes

Reaction equation

HRID 2157247 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[F:3][C:4]([c:5]1[c:6]([NH:7][C:8]([c:9]2[c:10]([OH:11])[c:12]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:13][c:14]([C:17]#[N:18])[c:15]2[CH3:16])=[O:23])[cH:24][cH:25][c:26]([S:28][c:29]2[cH:30][cH:31][c:32]([Br:35])[cH:33][cH:34]2)[cH:27]1)([F:36])[F:37].[OH2:38].[OH:1][OH:2]>>[O:1]=[S:28]([c:26]1[cH:25][cH:24][c:6]([NH:7][C:8]([c:9]2[c:10]([OH:11])[c:12]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:13][c:14]([C:17]#[N:18])[c:15]2[CH3:16])=[O:23])[c:5]([C:4]([F:3])([F:36])[F:37])[cH:27]1)[c:29]1[cH:30][cH:31][c:32]([Br:35])[cH:33][cH:34]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 962WaterHCID 21434108HCID 21434108, compound

Product 1

HCID 21434136HCID 21434136, compound

Sources & evidence

ORD record
ord-35a1b1ab171f4350bdb16bc20034d6c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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