Acetic Acid → N2-(3-fluoro-4-(5-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

HRID 2143102Notes

Reaction equation

HRID 2143102 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[n:3][c:4]([NH:20][CH3:21])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][c:13]([F:19])[c:14]([F:18])[c:15]([F:17])[cH:16]1)[CH2:9][CH2:10]2.[F:22][c:23]1[cH:24][c:25]([NH2:26])[cH:27][cH:28][c:29]1-[n:30]1[n:31][cH:32][n:33][c:34]1[CH3:35]>>[c:2]1([NH:26][c:25]2[cH:24][c:23]([F:22])[c:29](-[n:30]3[n:31][cH:32][n:33][c:34]3[CH3:35])[cH:28][cH:27]2)[n:3][c:4]([NH:20][CH3:21])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][c:13]([F:19])[c:14]([F:18])[c:15]([F:17])[cH:16]1)[CH2:9][CH2:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 580756192-chloro-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amineHCID 584144593-fluoro-4-(5-methyl-1H-1,2,4-triazol-1-yl)aniline

Product 1

HCID 58075626N2-(3-fluoro-4-(5-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-d098503708b643c6abb87f88b166958d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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