Bicarbonate Ion → N-((1-(2-(2-cyclopropylacetamido)ethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamide

HRID 1142999Notes

Reaction equation

HRID 1142999 reaction equation
[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[CH:28]1([CH2:31][C:32](=[O:33])[OH:34])[CH2:29][CH2:30]1.[Cl:75][CH2:76][Cl:77].[NH2:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1.[Na+:63].[O-:59][C:60]([OH:61])=[O:62].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1)[C:32]([CH2:31][CH:28]1[CH2:29][CH2:30]1)=[O:33]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 138440Cyclopropaneacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57993201N-((1-(2-aminoethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamide

Product 1

HCID 57993477N-((1-(2-(2-cyclopropylacetamido)ethyl)piperidin-4-yl)methyl)-3,5-bis(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-f4a03cf73fba41b5b7b2ea7688c630c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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