Acetic Acid → N-(5-amino-2-methylphenyl)-N'-(3-chloro-4-fluorophenyl)pyrimidine-4,6-diamine

HRID 688065Notes

Reaction equation

HRID 688065 reaction equation
[C:27]([OH:28])(=[O:29])[CH3:30].[CH3:31][OH:32].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]([NH:16][c:17]3[c:18]([CH3:26])[cH:19][cH:20][c:21]([N+:23]([O-:24])=[O:25])[cH:22]3)[cH:15]2)[cH:5][cH:6][c:7]1[F:8].[Fe:33]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]([NH:16][c:17]3[c:18]([CH3:26])[cH:19][cH:20][c:21]([NH2:23])[cH:22]3)[cH:15]2)[cH:5][cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 23925IronHCID 67316315N-(3-chloro-4-fluorophenyl)-N'-(2-methyl-5-nitrophenyl)pyrimidine-4,6-diamine

Product 1

HCID 67316172N-(5-amino-2-methylphenyl)-N'-(3-chloro-4-fluorophenyl)pyrimidine-4,6-diamine

Sources & evidence

ORD record
ord-3f6bf98795cf45369c3fa61aa2a6c29c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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