Acetic Acid → 8-Chloro-6-(2-fluorophenyl)-1-methyl-6H-Imidazo[1,5-a][1,4]benzodiazepine

HRID 90575Notes

Reaction equation

HRID 90575 reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[CH2:39]([Cl:40])[Cl:41].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[CH3:49][C:50](=[O:51])[OH:52].[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:29]1)[C:13]([c:22]1[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]1)=[N:14][CH2:15][c:16]1[n:17]-2[c:18]([CH3:21])[n:19][cH:20]1.[K+:6].[c:42]1([CH3:43])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:29]1)[CH:13]([c:22]1[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]1)[N:14]=[CH:15][c:16]1[n:17]-2[c:18]([CH3:21])[n:19][cH:20]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 1140TolueneHCID 4192MidazolamHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 45749132-Methylpropan-2-olate

Product 1

HCID 110456138-Chloro-6-(2-fluorophenyl)-1-methyl-6H-Imidazo[1,5-a][1,4]benzodiazepine

Sources & evidence

ORD record
ord-683329a8a2274c8d869ed53b4a5005f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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