Acetic Acid → HCID 67311178, compound

HRID 160799Notes

Reaction equation

HRID 160799 reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[Cl:1][c:2]1[c:3]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:24]2)[B:20]([OH:23])[O:21][CH2:22]3)[cH:4][cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[Fe:29]>>[Cl:1][c:2]1[c:3]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:24]2)[B:20]([OH:23])[O:21][CH2:22]3)[cH:4][cH:5][c:6]([NH2:8])[cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 23925IronHCID 67174416HCID 67174416, compound

Product 1

HCID 67311178HCID 67311178, compound

Sources & evidence

ORD record
ord-e352cb0325d94f35a0d635ffc4548d89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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