Hydrochloric Acid → 2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid isopropylamide

HRID 1551574Notes

Reaction equation

HRID 1551574 reaction equation
[CH3:30][CH:31]([CH3:32])[NH2:33].[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[cH:25]3)[nH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:64][CH2:65][Cl:66].[ClH:52].[OH2:41].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([C:26](=[O:28])[NH:33][CH:31]([CH3:30])[CH3:32])[cH:25]3)[nH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6363IsopropylamineHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 672281212-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid

Product 1

HCID 532502872-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid isopropylamide

Sources & evidence

ORD record
ord-ac0e5e96f7f04829be318d85ce4a88be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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