1,2-Dichloroethane → tert-butyl 2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carbonyl]amino]-4-methylsulfanylbutanoate

HRID 683585Notes

Reaction equation

HRID 683585 reaction equation
[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39]([CH:40]([NH2:41])[CH2:42][CH2:43][S:44][CH3:45])=[O:46].[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([CH:17]([c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[O:25][CH2:26][CH2:27][c:28]3[cH:29][n:30][cH:31][n:32]3[CH3:33])[cH:11][cH:12][c:13]2[C:14](=[O:15])[OH:16])[cH:6][cH:7]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:52][n:53]1[c:54]2[c:55]([cH:56][cH:57][cH:58][cH:59]2)[n:60][n:61]1.[OH:76][C:77]([CH2:78][C:79]([C:80](=[O:81])[OH:82])([CH2:83][C:84](=[O:85])[OH:86])[OH:87])=[O:88]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([CH:17]([c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[O:25][CH2:26][CH2:27][c:28]3[cH:29][n:30][cH:31][n:32]3[CH3:33])[cH:11][cH:12][c:13]2[C:14](=[O:16])[NH:41][CH:40]([C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:46])[CH2:42][CH2:43][S:44][CH3:45])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 311Citric AcidHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 757711-HydroxybenzotriazoleHCID 4147647Tert-butyl 2-amino-4-(methylsulfanyl)butanoateHCID 701307142-(4-Fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carboxylic acid

Product 1

HCID 178503728tert-butyl 2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)-[2-(3-methylimidazol-4-yl)ethoxy]methyl]pyridine-3-carbonyl]amino]-4-methylsulfanylbutanoate

Sources & evidence

ORD record
ord-9e59da07ad534ca38ff0513bce3fc67d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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