Isopropanol → 4-(Cyclopentylamino)-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5-nitropyrimidine

HRID 160061Notes

Reaction equation

HRID 160061 reaction equation
[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:36][CH:37]([OH:38])[CH3:39].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[n:7]1.[NH2:17][c:18]1[cH:19][cH:20][c:21]([N:24]2[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]2)[cH:22][cH:23]1>>[c:2]1([NH:17][c:18]2[cH:19][cH:20][c:21]([N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:22][cH:23]2)[n:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[n:7]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 7372534-(4-Methylpiperazin-1-yl)anilineHCID 71472532-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine

Product 1

HCID 587867844-(Cyclopentylamino)-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5-nitropyrimidine

Sources & evidence

ORD record
ord-10aca05e35524808beaf4f12a3ff7ce8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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