2,4,5-Trichloropyrimidine → 1-(4-(4-(4-(4-(Aminomethyl)piperidin-1-yl)-5-chloropyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

HRID 145625Notes

Reaction equation

HRID 145625 reaction equation
[Cl:32][c:33]1[n:34][c:35]([Cl:36])[c:37]([Cl:38])[cH:39][n:40]1.[NH2:1][CH2:2][CH:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11]([NH:16][c:17]3[cH:18][cH:19][c:20]([N:23]4[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]4)[cH:21][cH:22]3)[n:12][cH:13][c:14]2[F:15])[CH2:7][CH2:8]1>>[NH2:1][CH2:2][CH:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11]([NH:16][c:17]3[cH:18][cH:19][c:20]([N:23]4[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]4)[cH:21][cH:22]3)[n:12][cH:13][c:14]2[Cl:32])[CH2:7][CH2:8]1

Participants

3

Reactant 2

HCID 2372592,4,5-TrichloropyrimidineHCID 444673191-(4-(4-(4-(4-(Aminomethyl)piperidin-1-yl)-5-fluoropyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

Product 1

HCID 579903921-(4-(4-(4-(4-(Aminomethyl)piperidin-1-yl)-5-chloropyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

Sources & evidence

ORD record
ord-21ddf5fb7386446d937847642b93beac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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