Ammonia → 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol

HRID 1539166Notes

Reaction equation

HRID 1539166 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:18][c:19]3[n:20][cH:21][cH:22][c:23](-[c:25]4[cH:26][n:27][c:28]([CH3:33])[n:29]4[CH:30]([CH3:31])[CH3:32])[n:24]3)[cH:34][cH:35]2)[CH2:12][CH2:13]1.[CH3:37][OH:38].[NH3:36]>>[OH:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:18][c:19]3[n:20][cH:21][cH:22][c:23](-[c:25]4[cH:26][n:27][c:28]([CH3:33])[n:29]4[CH:30]([CH3:31])[CH3:32])[n:24]3)[cH:34][cH:35]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 222AmmoniaHCID 887MethanolHCID 686898132-{4-[4-(2-Acetoxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine

Product 1

HCID 112705002-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol

Sources & evidence

ORD record
ord-91e38d29d23a4439a51d27f68a4762bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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