Bicarbonate Ion → N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide

HRID 198587Notes

Reaction equation

HRID 198587 reaction equation
[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[N:26]1[CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]1.[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH:53]([N:54]([CH:55]([CH3:56])[CH3:57])[CH2:58][CH3:59])([CH3:60])[CH3:61].[Cl:72][CH2:73][Cl:74].[F:2][C:3]([c:4]1[cH:5][cH:6][cH:7][c:8]2[nH:9][c:10]([CH2:13][C:14](=[O:15])[OH:16])[n:11][c:12]12)([F:17])[F:18].[Li:1].[Na+:66].[O-:62][C:63]([OH:64])=[O:65].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[F:2][C:3]([c:4]1[cH:5][cH:6][cH:7][c:8]2[nH:9][c:10]([CH2:13][C:14](=[O:16])[NH:31][CH:28]3[CH2:27][N:26]([CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:30][CH2:29]3)[n:11][c:12]12)([F:17])[F:18]

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27566131-Benzyl-3-aminopyrrolidineHCID 3028194LithiumHCID 21111780(4-trifluoromethyl-1H-benzoimidazol-2-yl)-acetic acid

Product 1

HCID 77165654N-(1-benzylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide

Sources & evidence

ORD record
ord-ce895915211e4782bc6031260a79484f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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