Hydrochloric Acid → 3-(4-{3-[7-(1-methyl-cyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazin-1-yl)-3-oxo-propionitrile

HRID 297592Notes

Reaction equation

HRID 297592 reaction equation
[C:41](#[N:42])[CH2:43][C:44](=[O:45])[OH:46].[CH3:1][C:2]1([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][c:16](-[c:19]4[cH:20][c:21]([N:25]5[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]5)[cH:22][cH:23][cH:24]4)[n:17][c:18]23)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[Cl:59][CH2:60][Cl:61].[ClH:47].[n:31]1([OH:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH3:1][C:2]1([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][c:16](-[c:19]4[cH:20][c:21]([N:25]5[CH2:26][CH2:27][N:28]([C:44]([CH2:43][C:41]#[N:42])=[O:45])[CH2:29][CH2:30]5)[cH:22][cH:23][cH:24]4)[n:17][c:18]23)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9740Cyanoacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 59540704(1-methyl-cyclohexyl)-[2-(3-piperazin-1-yl-phenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-methanone

Product 1

HCID 595408163-(4-{3-[7-(1-methyl-cyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazin-1-yl)-3-oxo-propionitrile

Sources & evidence

ORD record
ord-33f38cfd075449e1ab46a0f47f070fc7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…