Sodium ion → 4'-[1-[[N-(3,4-dichlorophenyl)-N-methylglycyl](methyl)amino]-2-(1-pyrrolidinyl)ethyl]-2-biphenylcarboxamide

HRID 112205Notes

Reaction equation

HRID 112205 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[N:15]([C:16]([CH2:17][N:18]([CH3:19])[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[CH3:29])[cH:6][cH:7]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[NH2:30][C:31](=[O:32])[c:33]1[c:34]([B:39]([OH:40])[OH:41])[cH:35][cH:36][cH:37][cH:38]1.[Na+:46].[Na+:47].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59]>>[c:2]1(-[c:34]2[c:33]([C:31]([NH2:30])=[O:32])[cH:38][cH:37][cH:36][cH:35]2)[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[N:15]([C:16]([CH2:17][N:18]([CH3:19])[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[CH3:29])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2737809(2-Aminocarbonylphenyl)boronic acidHCID 59809676N1-[1-(4-bromophenyl)-2-(1-pyrrolidinyl)ethyl]-N2-(3,4-dichlorophenyl)-N1,N2-dimethylglycinamide

Product 1

HCID 469412024'-[1-[[N-(3,4-dichlorophenyl)-N-methylglycyl](methyl)amino]-2-(1-pyrrolidinyl)ethyl]-2-biphenylcarboxamide

Sources & evidence

ORD record
ord-d146db0a3b84424684e7bee07d199a47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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