1,4-Dioxane → 1,3-Dimethyl-4-[3-(4-methyl-1-piperazinyl)propionyl]-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

HRID 2130464

Reaction equation

HRID 2130464 reaction equation
[Br:1][CH2:2][CH2:3][C:4](=[O:5])[N:6]1[c:7]2[c:8]([n:18]([CH3:22])[cH:19][c:20]2[CH3:21])[C:9](=[O:17])[NH:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[CH3:23][N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[CH2:2]([CH2:3][C:4](=[O:5])[N:6]1[c:7]2[c:8]([n:18]([CH3:22])[cH:19][c:20]2[CH3:21])[C:9](=[O:17])[NH:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)[N:27]1[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 531671-MethylpiperazineHCID 205154874-(3-Bromopropionyl)-1,3-dimethyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

Product 1

HCID 205154461,3-Dimethyl-4-[3-(4-methyl-1-piperazinyl)propionyl]-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

Sources & evidence

ORD record
ord-671d5de911df4ac38191ffb73e79a70c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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