1,2-Dichloroethane → 2-(3-(4-Fluorophenyl)-1H-pyrazol-1-yl)-N-(3-hydroxy-4-oxo-4-(phenethylamino)-1-phenylbutan-2-yl)nicotinamide

HRID 122464Notes

Reaction equation

HRID 122464 reaction equation
[CH2:54]([Cl:55])[CH2:56][Cl:57].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10](-[c:13]3[c:14]([C:15](=[O:16])[NH:17][CH:18]([CH:19]([C:20](=[O:21])[OH:22])[OH:23])[CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31][cH:32][cH:33][n:34]3)[cH:11][cH:12]2)[cH:6][cH:7]1.[NH2:35][CH2:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10](-[c:13]3[c:14]([C:15](=[O:16])[NH:17][CH:18]([CH:19]([C:20](=[O:22])[NH:35][CH2:36][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[OH:23])[CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31][cH:32][cH:33][n:34]3)[cH:11][cH:12]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 1001PhenethylamineHCID 757711-HydroxybenzotriazoleHCID 672393523-(2-(3-(4-Fluorophenyl)-1H-pyrazol-1-yl)nicotinamido)-2-hydroxy-4-phenylbutanoic acid

Product 1

HCID 672384272-(3-(4-Fluorophenyl)-1H-pyrazol-1-yl)-N-(3-hydroxy-4-oxo-4-(phenethylamino)-1-phenylbutan-2-yl)nicotinamide

Sources & evidence

ORD record
ord-2a77b34980e4424bb05abf91bc606191
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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