Potassium Cation → 4-(3-Bromopropionyl)-1,3-dimethyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

HRID 1115754

Reaction equation

HRID 1115754 reaction equation
[Br:1][CH2:2][CH2:3][C:4](=[O:5])[Cl:6].[C:24](=[O:25])([O-:26])[O-:27].[CH3:7][n:8]1[cH:9][c:10]([CH3:23])[c:11]2[c:17]1[C:16](=[O:18])[NH:15][c:14]1[c:13]([cH:22][cH:21][cH:20][cH:19]1)[NH:12]2.[K+:28].[K+:29].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[OH2:30]>>[Br:1][CH2:2][CH2:3][C:4](=[O:5])[N:12]1[c:11]2[c:10]([CH3:23])[cH:9][n:8]([CH3:7])[c:17]2[C:16](=[O:18])[NH:15][c:14]2[c:13]1[cH:22][cH:21][cH:20][cH:19]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 84944Propanoyl chloride, 3-bromo-HCID 189759801,3-Dimethyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

Product 1

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

Sources & evidence

ORD record
ord-2b40256d256248ddb36c06eae73cdd22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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