Methanol → Adinazolam

HRID 2161108Notes

Reaction equation

HRID 2161108 reaction equation
[C:30]([O:31][CH2:32][CH3:33])(=[O:34])[CH3:35].[CH3:1][N:2]([OH:3])[CH3:4].[CH3:36][OH:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:29]1)[C:13]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[N:14][CH2:15][c:16]1[n:17]-2[c:18]([CH2:21][Cl:22])[n:19][n:20]1.[H-:5].[Na+:6].[OH2:43]>>[CH3:1][N:2]([CH3:4])[CH2:21][c:18]1[n:17]2[c:16]([n:20][n:19]1)[CH2:15][N:14]=[C:13]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:12]1[c:11]-2[cH:10][cH:9][c:8]([Cl:7])[cH:29]1

Participants

9

Reactant 8

HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 27970DimethylhydroxylamineHCID 166653HydrideHCID 126123458-chloro-1-(chloromethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Product 1

HCID 37632Adinazolam

Sources & evidence

ORD record
ord-2c70e7380db84ae0873acefa31bec146
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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