Acetonitrile → {5-[({1-[(3,4-Dichlorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}methyl)amino]benzene-1,3-diyl}dimethanol

HRID 305512Notes

Reaction equation

HRID 305512 reaction equation
[CH3:29][C:30]#[N:31].[OH:1][CH2:2][c:3]1[cH:4][c:5]([NH:11][C:12](=[O:13])[c:14]2[n:15][n:16][n:17]([CH2:20][c:21]3[cH:22][c:23]([Cl:28])[c:24]([Cl:27])[cH:25][cH:26]3)[c:18]2[CH3:19])[cH:6][c:7]([CH2:9][OH:10])[cH:8]1>>[OH:1][CH2:2][c:3]1[cH:4][c:5]([NH:11][CH2:12][c:14]2[n:15][n:16][n:17]([CH2:20][c:21]3[cH:22][c:23]([Cl:28])[c:24]([Cl:27])[cH:25][cH:26]3)[c:18]2[CH3:19])[cH:6][c:7]([CH2:9][OH:10])[cH:8]1

Participants

3

Reactant 2

HCID 6342AcetonitrileHCID 42603248N-(3,5-Bis(hydroxymethyl)phenyl)-1-((3,4-dichlorophenyl)methyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

Product 1

HCID 42603357{5-[({1-[(3,4-Dichlorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}methyl)amino]benzene-1,3-diyl}dimethanol

Sources & evidence

ORD record
ord-fa23c6a9846c40dcb3d52b06a43ea60f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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