1,2-Dichloroethane → N-[6-(2-Cyano-vinyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-3-(3,4-dichloro-benzenesulfonylamino)-3-(4-fluoro-phenyl)-propionamide

HRID 163692Notes

Reaction equation

HRID 163692 reaction equation
[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:16][c:17]1[cH:18][c:19]([S:24](=[O:25])(=[O:26])[NH:27][CH:28]([CH2:29][C:30](=[O:31])[OH:32])[c:33]2[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]2)[cH:20][cH:21][c:22]1[Cl:23].[Cl:77][CH2:78][Cl:79].[NH2:1][CH:2]1[c:3]2[cH:4][cH:5][c:6]([CH:12]=[CH:13][C:14]#[N:15])[cH:7][c:8]2[CH2:9][CH2:10][CH2:11]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([CH:2]1[c:3]2[cH:4][cH:5][c:6]([CH:12]=[CH:13][C:14]#[N:15])[cH:7][c:8]2[CH2:9][CH2:10][CH2:11]1)[C:30]([CH2:29][CH:28]([NH:27][S:24]([c:19]1[cH:18][c:17]([Cl:16])[c:22]([Cl:23])[cH:21][cH:20]1)(=[O:25])=[O:26])[c:33]1[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]1)=[O:31]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 454662343-(3,4-Dichlorobenzene-sulfonylamino)-3-(4-fluoro-phenyl)-propionic acidHCID 689266503-(5-Amino-5,6,7,8-tetrahydro-naphthalen-2-yl)-acrylonitrile

Product 1

HCID 68931708N-[6-(2-Cyano-vinyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-3-(3,4-dichloro-benzenesulfonylamino)-3-(4-fluoro-phenyl)-propionamide

Sources & evidence

ORD record
ord-cea0077289c94b44af98c144c8c19ccf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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