Bicarbonate Ion → 4-[1-benzenesulfonyl-5-(2-cyano-acetylamino)-1H-pyrrolo[2,3-b]pyridin-4-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

HRID 1548452Notes

Reaction equation

HRID 1548452 reaction equation
[C:1](#[N:2])[CH2:3][C:4](=[O:5])[OH:6].[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[N:47]1[CH2:48][CH2:49][CH:50]([NH:53][c:54]2[c:55]3[c:56]([n:57][cH:58][c:59]2[N+:60]([O-:61])=[O:62])[n:63]([S:66](=[O:67])(=[O:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:64][cH:65]3)[CH2:51][CH2:52]1.[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:85][CH2:86][Cl:87].[Na+:79].[O-:75][C:76]([OH:77])=[O:78].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:7]([F:8])([F:9])([F:10])([F:11])([F:12])[F:13].[n:14]1([O:15][C:16]([N:17]([CH3:18])[CH3:19])=[N+:20]([CH3:21])[CH3:22])[c:23]2[n:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[C:1](#[N:2])[CH2:3][C:4](=[O:6])[NH:60][c:59]1[c:54]([NH:53][CH:50]2[CH2:49][CH2:48][N:47]([C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:46])[CH2:52][CH2:51]2)[c:55]2[c:56]([n:57][cH:58]1)[n:63]([S:66](=[O:67])(=[O:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[cH:64][cH:65]2

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9740Cyanoacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673440274-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 673425034-[1-benzenesulfonyl-5-(2-cyano-acetylamino)-1H-pyrrolo[2,3-b]pyridin-4-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-0324475349c147c98d9d850a8d741603
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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