Dimethylformamide → 3-methyl-pentanoic acid {1-benzenesulfonyl-4-[1-(2-cyano-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-yl}-amide

HRID 1214856Notes

Reaction equation

HRID 1214856 reaction equation
[CH3:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[CH2:7][CH3:8].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[NH2:42][c:43]1[c:44]([NH:61][CH:62]2[CH2:63][CH2:64][N:65]([CH2:68][CH2:69][C:70]#[N:71])[CH2:66][CH2:67]2)[c:45]2[c:46]([n:47][cH:48]1)[n:49]([S:52](=[O:53])(=[O:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[cH:50][cH:51]2.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:9]([F:10])([F:11])([F:12])([F:13])([F:14])[F:15].[n:16]1([O:17][C:18]([N:19]([CH3:20])[CH3:21])=[N+:22]([CH3:23])[CH3:24])[c:25]2[n:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1>>[CH3:1][CH:2]([CH2:3][C:4](=[O:6])[NH:42][c:43]1[c:44]([NH:61][CH:62]2[CH2:63][CH2:64][N:65]([CH2:68][CH2:69][C:70]#[N:71])[CH2:66][CH2:67]2)[c:45]2[c:46]([n:47][cH:48]1)[n:49]([S:52](=[O:53])(=[O:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[cH:50][cH:51]2)[CH2:7][CH3:8]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 77553-Methylpentanoic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673456183-[4-(5-amino-1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-piperidin-1-yl]-propionitrile

Product 1

HCID 673443913-methyl-pentanoic acid {1-benzenesulfonyl-4-[1-(2-cyano-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-yl}-amide

Sources & evidence

ORD record
ord-ab8d4801810044dcb3ea03a2d6a459bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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