Acetaldehyde → 2-Chloro-4-{2-[4-(3-{[ethyl-(-ethyl-piperidin-4-yl)-amino]-methyl}-phenyl)-pyrimidin-2-ylamino]-ethyl}-phenol

HRID 693233Notes

Reaction equation

HRID 693233 reaction equation
[CH:34]([CH3:35])=[O:36].[Cl:1][c:2]1[c:3]([OH:33])[cH:4][cH:5][c:6]([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([CH2:23][N:24]([CH:25]4[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]4)[CH2:31][CH3:32])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1>>[Cl:1][c:2]1[c:3]([OH:33])[cH:4][cH:5][c:6]([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([CH2:23][N:24]([CH:25]4[CH2:26][CH2:27][N:28]([CH2:34][CH3:35])[CH2:29][CH2:30]4)[CH2:31][CH3:32])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1

Participants

3

Reactant 2

HCID 177AcetaldehydeHCID 586034392-Chloro-4-[2-(4-{3-[(ethyl-piperidin-4-yl-amino)-methyl]-phenyl}-pyrimidin-2-ylamino)-ethyl]-phenol

Product 1

HCID 586034352-Chloro-4-{2-[4-(3-{[ethyl-(-ethyl-piperidin-4-yl)-amino]-methyl}-phenyl)-pyrimidin-2-ylamino]-ethyl}-phenol

Sources & evidence

ORD record
ord-24e0da5986be4c31900d5eae96e0bc49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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