Hydrochloric Acid → N-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-3-(3-methoxy-benzenesulfonylamino)-propionamide

HRID 192860Notes

Reaction equation

HRID 192860 reaction equation
[CH2:30]([N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH3:40].[CH3:1][O:2][c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[cH:6][cH:7][cH:8]1.[CH3:41][N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[ClH:29].[NH2:48][C:49]([CH3:50])([c:51]1[n:52]([CH3:56])[cH:53][n:54][cH:55]1)[c:57]1[cH:58][c:59]([F:65])[c:60]([C:61]#[N:62])[cH:63][cH:64]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:18].[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][C:15](=[O:17])[NH:48][C:49]([CH3:50])([c:51]2[n:52]([CH3:56])[cH:53][n:54][cH:55]2)[c:57]2[cH:58][c:59]([F:65])[c:60]([C:61]#[N:62])[cH:63][cH:64]2)[cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 11470581(+)-4-[1-amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-fluoro-benzonitrileHCID 186294403-(3-Methoxy-benzenesulfonylamino)-propionic acid

Product 1

HCID 18629422N-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-3-(3-methoxy-benzenesulfonylamino)-propionamide

Sources & evidence

ORD record
ord-73c80fd9ada14f6093089425027e7ae4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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