Sodium ion → 1-methyl-cyclopentyl 8-chloro-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate

HRID 314709Notes

Reaction equation

HRID 314709 reaction equation
[CH3:1][C:2]1([OH:7])[CH2:3][CH2:4][CH2:5][CH2:6]1.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:10][c:11]1[cH:12][cH:13][cH:14][c:15]2[c:16]1[C:17](=[O:35])[N:18]1[CH:19]([c:20]3[n:21]-2[cH:22][n:23][c:24]3[C:25](=[O:26])[n:27]2[cH:28][cH:29][n:30][cH:31]2)[CH2:32][CH2:33][CH2:34]1.[H-:8].[Na+:9].[OH2:36]>>[CH3:1][C:2]1([O:7][C:25]([c:24]2[c:20]3[n:21]([cH:22][n:23]2)-[c:15]2[cH:14][cH:13][cH:12][c:11]([Cl:10])[c:16]2[C:17](=[O:35])[N:18]2[CH:19]3[CH2:32][CH2:33][CH2:34]2)=[O:26])[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 738301-MethylcyclopentanolHCID 166653HydrideHCID 178515127HCID 178515127, compound

Product 1

HCID 204348231-methyl-cyclopentyl 8-chloro-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate

Sources & evidence

ORD record
ord-c118d999068541d0860dc42eac97499e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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