1-Cyclopropylpiperazine → N-{3-chloro-4-[(6-methylpyridin-3-yl)oxy]phenyl}-3-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 176311Notes

Reaction equation

HRID 176311 reaction equation
[CH:30]1([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[CH2:31][CH2:32]1.[Cl:1][CH2:2][CH2:3][O:4][c:5]1[n:6][nH:7][c:8]2[n:9][cH:10][n:11][c:12]([NH:14][c:15]3[cH:16][c:17]([Cl:29])[c:18]([O:21][c:22]4[cH:23][n:24][c:25]([CH3:28])[cH:26][cH:27]4)[cH:19][cH:20]3)[c:13]12>>[CH2:2]([CH2:3][O:4][c:5]1[n:6][nH:7][c:8]2[n:9][cH:10][n:11][c:12]([NH:14][c:15]3[cH:16][c:17]([Cl:29])[c:18]([O:21][c:22]4[cH:23][n:24][c:25]([CH3:28])[cH:26][cH:27]4)[cH:19][cH:20]3)[c:13]12)[N:36]1[CH2:35][CH2:34][N:33]([CH:30]2[CH2:31][CH2:32]2)[CH2:38][CH2:37]1

Participants

3

Reactant 2

HCID 47420041-CyclopropylpiperazineHCID 116548903-(2-chloroethoxy)-N-{3-chloro-4-[(6-methylpyridin-3-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 67020778N-{3-chloro-4-[(6-methylpyridin-3-yl)oxy]phenyl}-3-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-e89678a7d87c45b68768f7528fb3c355
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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