Acetic Acid → 7-Chloro-2,1,3-benzoxadiazol-4-amine

HRID 215224

Reaction equation

HRID 215224 reaction equation
[C:14]([OH:15])(=[O:16])[CH3:17].[CH3:18][CH2:19][O:20][C:21]([CH3:22])=[O:23].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:11]([O-:12])=[O:13])[c:6]2[c:7]1[n:8][o:9][n:10]2.[Fe:25].[OH2:24]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH2:11])[c:6]2[c:7]1[n:8][o:9][n:10]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 25043NBD-Cl

Product 1

HCID 218751677-Chloro-2,1,3-benzoxadiazol-4-amine

Sources & evidence

ORD record
ord-52a1b1066b5a44908b060b989df1fa99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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