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

HRID 2129149Notes

Reaction equation

HRID 2129149 reaction equation
[CH3:1][CH2:2][CH2:3][C:4]([OH:5])=[O:6].[CH:7]([N:8]([CH:9]([CH3:10])[CH3:11])[CH2:12][CH3:13])([CH3:14])[CH3:15].[Cl:75][CH2:76][Cl:77].[NH2:40][c:41]1[c:42]([NH:59][CH:60]2[CH2:61][CH2:62][N:63]([CH2:66][CH2:67][C:68]#[N:69])[CH2:64][CH2:65]2)[c:43]2[c:44]([n:45][cH:46]1)[n:47]([S:50](=[O:51])(=[O:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[cH:48][cH:49]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][CH2:2][CH2:3][C:4](=[O:6])[NH:40][c:41]1[c:42]([NH:59][CH:60]2[CH2:61][CH2:62][N:63]([CH2:66][CH2:67][C:68]#[N:69])[CH2:64][CH2:65]2)[c:43]2[c:44]([n:45][cH:46]1)[n:47]([S:50](=[O:51])(=[O:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[cH:48][cH:49]2

Participants

8

Reactant 7

HCID 264Butyric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 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 67348422N-{1-benzenesulfonyl-4-[1-(2-cyano-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-yl}-butyramide

Sources & evidence

ORD record
ord-3eb3fdb3d399441f97056518664f2902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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