Propionic Acid → N-{1-benzenesulfonyl-4-[1-(2-cyano-1-methyl-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-yl}-propionamide

HRID 101585Notes

Reaction equation

HRID 101585 reaction equation
[CH3:1][CH2:2][C:3]([OH:4])=[O:5].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:75][CH2:76][Cl:77].[NH2:39][c:40]1[c:41]([NH:58][CH:59]2[CH2:60][CH2:61][N:62]([CH:65]([CH2:66][C:67]#[N:68])[CH3:69])[CH2:63][CH2:64]2)[c:42]2[c:43]([n:44][cH:45]1)[n:46]([S:49](=[O:50])(=[O:51])[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[cH:47][cH:48]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:6]([F:7])([F:8])([F:9])([F:10])([F:11])[F:12].[n:13]1([O:14][C:15]([N:16]([CH3:17])[CH3:18])=[N+:19]([CH3:20])[CH3:21])[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[CH3:1][CH2:2][C:3](=[O:5])[NH:39][c:40]1[c:41]([NH:58][CH:59]2[CH2:60][CH2:61][N:62]([CH:65]([CH2:66][C:67]#[N:68])[CH3:69])[CH2:63][CH2:64]2)[c:42]2[c:43]([n:44][cH:45]1)[n:46]([S:49](=[O:50])(=[O:51])[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[cH:47][cH:48]2

Participants

8

Reactant 7

HCID 1032Propionic AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673436313-[4-(5-amino-1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-piperidin-1-yl]-butyronitrile

Product 1

HCID 67343906N-{1-benzenesulfonyl-4-[1-(2-cyano-1-methyl-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-yl}-propionamide

Sources & evidence

ORD record
ord-9ae386aa2efe471581cfd6bbfc219096
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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