Hydrochloric Acid → N-{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-dimethylamino-acetamide

HRID 152893Notes

Reaction equation

HRID 152893 reaction equation
[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:30][N:31]([CH2:32][C:33](=[O:34])[OH:35])[CH3:36].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][N:67]([CH3:68])[c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1.[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[CH:2]1([CH2:7][CH:8]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]2)[c:19]2[cH:20][c:21]3[c:22]([n:23][cH:24][c:25]([NH2:27])[cH:26]3)[nH:28]2)[CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:75][CH2:76][Cl:77].[ClH:1].[ClH:29].[ClH:37].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH:2]1([CH2:7][CH:8]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]2)[c:19]2[cH:20][c:21]3[c:22]([n:23][cH:24][c:25]([NH:27][C:33]([CH2:32][N:31]([CH3:30])[CH3:36])=[O:34])[cH:26]3)[nH:28]2)[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 673N,N-DimethylglycineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 67229248HCID 67229248, compound

Product 1

HCID 67228714N-{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-dimethylamino-acetamide

Sources & evidence

ORD record
ord-9cc616e05d4047e8a9dacef044aa1d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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