Ethanol → (4-Bromo-2-chloro-phenyl)-{4-fluoro-1-(2-methanesulfonyl-ethyl)-6-[4-(toluene-4-sulfonyl)-4,5-dihydro-oxazol-5-yl]-1H-benzoimidazol-5-yl}-amine

HRID 160564Notes

Reaction equation

HRID 160564 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:27])[c:5]([NH:8][c:9]2[c:10]([CH:25]=[O:26])[cH:11][c:12]3[c:13]([n:14][cH:15][n:16]3[CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[CH3:22])[c:23]2[F:24])[cH:6][cH:7]1.[C-:41]#[N:42].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:49][CH2:50][OH:51].[Na+:43].[S:28](=[O:29])(=[O:30])([c:31]1[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]1)[CH2:38][N+:39]#[C-:40]>>[Br:1][c:2]1[cH:3][c:4]([Cl:27])[c:5]([NH:8][c:9]2[c:10]([CH:25]3[O:26][CH:40]=[N:39][CH:38]3[S:28](=[O:29])(=[O:30])[c:31]3[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]3)[cH:11][c:12]3[c:13]([n:14][cH:15][n:16]3[CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[CH3:22])[c:23]2[F:24])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 5975CyanideHCID 8028TetrahydrofuranHCID 161915Tosylmethyl isocyanideHCID 211142046-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(2-methanesulfonyl-ethyl)-3H-benzoimidazole-5-carbaldehyde

Product 1

HCID 21114188(4-Bromo-2-chloro-phenyl)-{4-fluoro-1-(2-methanesulfonyl-ethyl)-6-[4-(toluene-4-sulfonyl)-4,5-dihydro-oxazol-5-yl]-1H-benzoimidazol-5-yl}-amine

Sources & evidence

ORD record
ord-d64e60cfa4ee4c429f1c019a297ff351
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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