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

HRID 101340Notes

Reaction equation

HRID 101340 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.[CH3:29][NH2:30].[CH3:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH3:50][N:51]([CH3:52])[CH2:53][CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:61][CH2:62][Cl:63].[ClH:28].[ClH:49].[OH2:38].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]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:25])[NH:32][CH3:31])[cH:23]3)[nH:27]2)[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 6329MethylamineHCID 6344DichloromethaneHCID 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 532504302-[1-(4-methanesulfonyl-phenyl)-3-methyl-butyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methylamide

Sources & evidence

ORD record
ord-71b9ad034aeb4cabb2a5ee278b8a45ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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