Acetonitrile → N-{3-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylamino]-propyl}-3-hydroxy-benzenesulfonamide

HRID 180918Notes

Reaction equation

HRID 180918 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][C:42]#[N:43].[NH2:16][C:17]([CH3:18])([c:19]1[n:20]([CH3:24])[cH:21][n:22][cH:23]1)[c:25]1[cH:26][c:27]([F:33])[c:28]([C:29]#[N:30])[cH:31][cH:32]1>>[CH2:2]([CH2:3][CH2:4][NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]1)[NH:16][C:17]([CH3:18])([c:19]1[n:20]([CH3:24])[cH:21][n:22][cH:23]1)[c:25]1[cH:26][c:27]([F:33])[c:28]([C:29]#[N:30])[cH:31][cH:32]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 11470581(+)-4-[1-amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-fluoro-benzonitrileHCID 18629458N-(3-bromo-propyl)-3-hydroxy-benzenesulfonamide

Product 1

HCID 70026827N-{3-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylamino]-propyl}-3-hydroxy-benzenesulfonamide

Sources & evidence

ORD record
ord-86a9ffc063ad442ebe4f418321e08790
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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