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

HRID 1544780Notes

Reaction equation

HRID 1544780 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[c:16]2[cH:17][c:18]3[c:19]([n:20][cH:21][c:22]([C:24](=[O:25])[OH:26])[cH:23]3)[nH:27]2)[cH:9][cH:10]1.[CH3:28][CH:29]([CH3:30])[NH2:31].[CH3:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl:62][CH2:63][Cl:64].[ClH:50].[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[c:16]2[cH:17][c:18]3[c:19]([n:20][cH:21][c:22]([C:24](=[O:26])[NH:31][CH:29]([CH3:28])[CH3:30])[cH:23]3)[nH:27]2)[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6363IsopropylamineHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 672298582-[1-(4-methanesulfonyl-phenyl)-3-methyl-butyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid

Product 1

HCID 532502862-[1-(4-methanesulfonyl-phenyl)-3-methyl-butyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid isopropylamide

Sources & evidence

ORD record
ord-56bd6ba7759249019de9bfcd6e7642a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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