Dichloromethane → N-[3-benzylsulfanyl-1-oxo-1-[1-[4-(trifluoromethoxy)anilino]propan-2-ylamino]propan-2-yl]morpholine-4-carboxamide

HRID 283940Notes

Reaction equation

HRID 283940 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][CH2:9][CH:10]([C:11](=[O:12])[OH:13])[NH:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:72][CH2:73][Cl:74].[F:23][C:24]([O:25][c:26]1[cH:27][cH:28][c:29]([NH:32][CH2:33][CH:34]([CH3:35])[NH2:36])[cH:30][cH:31]1)([F:37])[F:38].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][CH2:9][CH:10]([C:11](=[O:13])[NH:36][CH:34]([CH2:33][NH:32][c:29]1[cH:28][cH:27][c:26]([O:25][C:24]([F:23])([F:37])[F:38])[cH:31][cH:30]1)[CH3:35])[NH:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 185177153-Benzylsulfanyl-2-(morpholine-4-carbonylamino)propanoic acidHCID 21082274N1-[4-(trifluoromethoxy)phenyl]propane-1,2-diamine

Product 1

HCID 178456780N-[3-benzylsulfanyl-1-oxo-1-[1-[4-(trifluoromethoxy)anilino]propan-2-ylamino]propan-2-yl]morpholine-4-carboxamide

Sources & evidence

ORD record
ord-f4f115e428844fb895b0ba9c1186da49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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