Acetic Acid → HCID 70842020, compound

HRID 1563673Notes

Reaction equation

HRID 1563673 reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:8]2[c:9]([B:33]3[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]3)[cH:10][c:11]3[c:12]4[c:13]([nH:14][c:15]3[cH:16]2)[c:17]([C:30](=[O:31])[NH2:32])[cH:18][n:19][c:20]4[NH:21][CH:22]([C:23]([F:24])([F:25])[F:26])[CH:27]2[CH2:28][CH2:29]2)[cH:6][n:7]1.[OH:42][OH:43]>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:8]2[c:9]([OH:42])[cH:10][c:11]3[c:12]4[c:13]([nH:14][c:15]3[cH:16]2)[c:17]([C:30](=[O:31])[NH2:32])[cH:18][n:19][c:20]4[NH:21][CH:22]([C:23]([F:24])([F:25])[F:26])[CH:27]2[CH2:28][CH2:29]2)[cH:6][n:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 8857Ethyl AcetateHCID 70842019HCID 70842019, compound

Product 1

HCID 70842020HCID 70842020, compound

Sources & evidence

ORD record
ord-283ad4aa16d540588f5ec46488c8e72d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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