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

HRID 677775Notes

Reaction equation

HRID 677775 reaction equation
[CH3:30][C:31]([CH3:32])([CH3:33])[NH2:34].[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[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:65][CH2:66][Cl:67].[ClH:53].[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]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:27])[NH:34][C:31]([CH3:30])([CH3:32])[CH3:33])[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 6385Tert-ButylamineHCID 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 672293972-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid tert-butylamide

Sources & evidence

ORD record
ord-a07820d8c7af4962b9f85716f74090d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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