Hydrochloric Acid → 3-[[2-[Methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propyl acetate

HRID 1228536Notes

Reaction equation

HRID 1228536 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:12])[OH:13])[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24]1.[C:47]([CH3:48])(=[O:49])[O:50][CH2:51][CH2:52][CH2:53][NH:54][C:55]([CH:56]([CH2:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[NH:64][CH3:65])=[O:66].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl:72][CH2:73][Cl:74].[ClH:35].[OH:25][n:26]1[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:13])[N:64]([CH:56]([C:55]([NH:54][CH2:53][CH2:52][CH2:51][O:50][C:47]([CH3:48])=[O:49])=[O:66])[CH2:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH3:65])[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 223269722-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoic acidHCID 223270733-[[2-(Methylamino)-3-phenylpropanoyl]amino]propyl acetate

Product 1

HCID 223271033-[[2-[Methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propyl acetate

Sources & evidence

ORD record
ord-11bc1629801a4c50afe4b82963fd9567
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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