Ethanol → N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-4-(1,2,4-triazol-4-yl)aniline

HRID 1570739Notes

Reaction equation

HRID 1570739 reaction equation
[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[cH:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH:15]([CH2:17][CH2:18][N:19]([C:20](=[O:21])[CH3:22])[c:23]4[cH:24][cH:25][c:26](-[n:29]5[cH:30][n:31][n:32][cH:33]5)[cH:27][cH:28]4)[CH2:16]3)[CH2:12][CH2:13]2)[n:6][cH:7]1.[Na+:35].[OH-:34].[OH2:36]>>[Cl:1][c:2]1[cH:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH:15]([CH2:17][CH2:18][NH:19][c:23]4[cH:24][cH:25][c:26](-[n:29]5[cH:30][n:31][n:32][cH:33]5)[cH:27][cH:28]4)[CH2:16]3)[CH2:12][CH2:13]2)[n:6][cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178474656HCID 178474656, compound

Product 1

HCID 75586422N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-4-(1,2,4-triazol-4-yl)aniline

Sources & evidence

ORD record
ord-7f96e50ec90c4474b3763b8eb101db3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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