Sodium ion → 1,3-Dimethyl-4-pyrrolidinoacetyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

HRID 1205285

Reaction equation

HRID 1205285 reaction equation
[CH3:16][n:17]1[cH:18][c:19]([CH3:32])[c:20]2[c:26]1[C:25](=[O:27])[NH:24][c:23]1[c:22]([cH:31][cH:30][cH:29][cH:28]1)[NH:21]2.[Cl:1][C:2]([O:3][CH2:4][CH3:5])=[O:6].[N:7]1([CH2:12][C:13](=[O:14])[OH:15])[CH2:8][CH2:9][CH2:10][CH2:11]1.[Na+:34].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:33]>>[N:7]1([CH2:12][C:13](=[O:15])[N:21]2[c:20]3[c:19]([CH3:32])[cH:18][n:17]([CH3:16])[c:26]3[C:25](=[O:27])[NH:24][c:23]3[c:22]2[cH:31][cH:30][cH:29][cH:28]3)[CH2:8][CH2:9][CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 414564Pyrrolidin-1-ylacetic acidHCID 189759801,3-Dimethyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

Product 1

HCID 205154481,3-Dimethyl-4-pyrrolidinoacetyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one

Sources & evidence

ORD record
ord-bb46751b44e147b5a1813a3e051286e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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