1,2-Dichloroethane → Tert-butyl 2-[4-[[5-[[(2-acetylsulfanyl-4-methylpentanoyl)amino]methyl]-2-ethoxy-4-ethylimidazol-1-yl]methyl]-3-fluorophenyl]benzoate

HRID 213615Notes

Reaction equation

HRID 213615 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:33])[c:17]([CH2:20][n:21]3[c:22]([O:30][CH2:31][CH3:32])[n:23][c:24]([CH2:28][CH3:29])[c:25]3[CH2:26][NH2:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[C:34]([CH3:35])(=[O:36])[S:37][CH:38]([C:39](=[O:40])[OH:41])[CH2:42][CH:43]([CH3:44])[CH3:45].[CH2:68]([Cl:69])[CH2:70][Cl:71].[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:53][n:54]1[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:33])[c:17]([CH2:20][n:21]3[c:22]([O:30][CH2:31][CH3:32])[n:23][c:24]([CH2:28][CH3:29])[c:25]3[CH2:26][NH:27][C:39]([CH:38]([S:37][C:34]([CH3:35])=[O:36])[CH2:42][CH:43]([CH3:44])[CH3:45])=[O:40])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 181649HOAtHCID 145054832-(Acetylsulfanyl)-4-methylpentanoic acidHCID 510413374'-(5-Aminomethyl-2-ethoxy-4-ethylimidazol-1-ylmethyl)-3'-fluorobiphenyl-2-carboxylic acid t-butyl ester

Product 1

HCID 87199128Tert-butyl 2-[4-[[5-[[(2-acetylsulfanyl-4-methylpentanoyl)amino]methyl]-2-ethoxy-4-ethylimidazol-1-yl]methyl]-3-fluorophenyl]benzoate

Sources & evidence

ORD record
ord-8fcd2c72d94149cfafd4d23dcf907995
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…