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 295309Notes

Reaction equation

HRID 295309 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].[CH2:46]([Cl:47])[Cl:48].[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[OH2:62]>>[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 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 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-fd965325284d409c8c1b2f84787b0971
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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