Dimethylformamide → 5,6-dihydro-3-(3-isoindolin-2-ylmethyl-1,2,4-oxadiazol-5-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

HRID 159324Notes

Reaction equation

HRID 159324 reaction equation
[Br:33][CH2:34][c:35]1[c:36]([CH2:41][Br:42])[cH:37][cH:38][cH:39][cH:40]1.[CH2:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31])[CH3:32].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[NH2:1][CH2:2][c:3]1[n:4][o:5][c:6](-[c:8]2[n:9][cH:10][n:11]3[c:12]2[CH2:13][N:14]([CH3:23])[C:15](=[O:22])[c:16]2[c:17]-3[cH:18][cH:19][cH:20][cH:21]2)[n:7]1>>[N:1]1([CH2:2][c:3]2[n:4][o:5][c:6](-[c:8]3[n:9][cH:10][n:11]4[c:12]3[CH2:13][N:14]([CH3:23])[C:15](=[O:22])[c:16]3[c:17]-4[cH:18][cH:19][cH:20][cH:21]3)[n:7]2)[CH2:34][c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[CH2:41]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 66665o-Bis(bromomethyl)benzeneHCID 81531DiisopropylethylamineHCID 229142163-(3-aminomethyl-1,2,4-oxadiazol-5-yl)-5-methyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Product 1

HCID 540922635,6-dihydro-3-(3-isoindolin-2-ylmethyl-1,2,4-oxadiazol-5-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Sources & evidence

ORD record
ord-e0c735539688457a8c27093c90ce6bca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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