Hydrochloric Acid → 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide

HRID 2349841Notes

Reaction equation

HRID 2349841 reaction equation
[C:46]([CH3:47])([CH3:48])([CH3:49])[O:50][NH2:51].[CH2:64]([Cl:65])[Cl:66].[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]([C:15](=[O:16])[OH:17])[CH:18]([CH3:19])[CH3:20])[CH2:21][c:22]2[cH:23][n:24][cH:25][cH:26][cH:27]2)[cH:8][cH:9]1.[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:53][N:54]([CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62])[CH3:63].[ClH:1].[ClH:45].[ClH:52].[OH2:67].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]([C:15](=[O:17])[NH:51][O:50][C:46]([CH3:47])([CH3:48])[CH3:49])[CH:18]([CH3:19])[CH3:20])[CH2:21][c:22]2[cH:23][n:24][cH:25][cH:26][cH:27]2)[cH:8][cH:9]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2777907O-tert-butylhydroxylamineHCID 229071942-[(4-Methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid

Product 1

HCID 229071322-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide

Sources & evidence

ORD record
ord-1713c8bf5a6b4e5694c7ed8c7cd77d58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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