Methanol → [(3,4-Diaminophenyl)sulfanyl]acetonitrile

HRID 2124741Notes

Reaction equation

HRID 2124741 reaction equation
[CH3:15][OH:16].[Fe:22].[NH2:1][c:2]1[c:3]([N+:12]([O-:13])=[O:14])[cH:4][c:5]([S:8][CH2:9][C:10]#[N:11])[cH:6][cH:7]1.[O-:17][S:18](=[O:19])(=[O:20])[O-:21].[OH2:23]>>[NH2:1][c:2]1[c:3]([NH2:12])[cH:4][c:5]([S:8][CH2:9][C:10]#[N:11])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 887MethanolHCID 962WaterHCID 1117Sulfate IonHCID 23925IronHCID 20362816[(4-Amino-3-nitrophenyl)sulfanyl]acetonitrile

Product 1

HCID 20362813[(3,4-Diaminophenyl)sulfanyl]acetonitrile

Sources & evidence

ORD record
ord-d404798f2daf4921a67a4f5dc8db25ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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