1,2-Dichloroethane → N-(6-acetyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-3-(4-fluoro-phenyl)-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide

HRID 2339111Notes

Reaction equation

HRID 2339111 reaction equation
[C:1]([O:2][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH2:11][c:12]2[cH:13][c:14]([C:18]([CH3:19])=[O:20])[cH:15][cH:16][c:17]21)=[O:21])([CH3:3])([CH3:4])[CH3:5].[CH2:63]([Cl:64])[CH2:65][Cl:66].[CH3:87][CH2:88][O:89][C:90]([CH3:91])=[O:92].[CH:77]([N:78]([CH2:79][CH3:80])[CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[Cl:93][CH2:94][Cl:95].[ClH:22].[ClH:86].[F:37][c:38]1[cH:39][cH:40][c:41]([CH:44]([CH2:45][C:46]([OH:47])=[O:48])[NH:49][S:50](=[O:51])(=[O:52])[c:53]2[cH:54][c:55]([C:59]([F:60])([F:61])[F:62])[cH:56][cH:57][cH:58]2)[cH:42][cH:43]1.[NH2:23][CH:24]1[CH2:25][CH2:26][CH2:27][c:28]2[cH:29][c:30]([C:31](=[O:32])[CH3:33])[cH:34][cH:35][c:36]21.[O:96]=[CH:97][N:98]([CH3:99])[CH3:100].[OH:67][n:68]1[c:69]2[c:70]([cH:71][cH:72][cH:73][cH:74]2)[n:75][n:76]1>>[C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH2:11][c:12]2[cH:13][c:14]([C:18]([CH3:19])=[O:20])[cH:15][cH:16][c:17]21)(=[O:21])[CH2:45][CH:44]([c:41]1[cH:40][cH:39][c:38]([F:37])[cH:43][cH:42]1)[NH:49][S:50](=[O:51])(=[O:52])[c:53]1[cH:54][c:55]([C:59]([F:60])([F:61])[F:62])[cH:56][cH:57][cH:58]1

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 454662383-(4-Fluorophenyl)-3-(3-trifluoromethyl-benzenesulfonylamino)-propionic acidHCID 686795011-(5-Amino-5,6,7,8-tetrahydronaphthalen-2-yl)ethanoneHCID 68680146Tert-butyl 6-acetyl-1,2,3,4-tetrahydronaphthalen-1-ylcarbamate

Product 1

HCID 68929305N-(6-acetyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-3-(4-fluoro-phenyl)-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide

Sources & evidence

ORD record
ord-0bb79d2034bc4a4688e54a682060bc59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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