Hydrochloric Acid → 3,4-Diamino-6-(4-methoxy-3-trifluoromethyl-phenyl)-pyridine-2-carbonitrile

Reaction equation

[CH3:27][OH:28].[ClH:25].[Fe:29].[NH2:1][c:2]1[c:3]([N+:22]([O-:23])=[O:24])[c:4]([C:20]#[N:21])[n:5][c:6](-[c:8]2[cH:9][c:10]([C:16]([F:17])([F:18])[F:19])[c:11]([O:14][CH3:15])[cH:12][cH:13]2)[cH:7]1.[OH2:26]>>[NH2:1][c:2]1[c:3]([NH2:22])[c:4]([C:20]#[N:21])[n:5][c:6](-[c:8]2[cH:9][c:10]([C:16]([F:17])([F:18])[F:19])[c:11]([O:14][CH3:15])[cH:12][cH:13]2)[cH:7]1

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 962Water

HCID 23925Iron

HCID 589381164-Amino-6-(4-methoxy-3-trifluoromethyl-phenyl)-3-nitro-pyridine-2-carbonitrile

Product 1

HCID 589381133,4-Diamino-6-(4-methoxy-3-trifluoromethyl-phenyl)-pyridine-2-carbonitrile

Sources & evidence

ORD record: ord-c95f54e633d248d9bc464186e4dc7bd7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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