Hydrochloric Acid → [2-Methyl-1-[[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propan-2-yl] acetate

HRID 1215069Notes

Reaction equation

HRID 1215069 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][C:51]([CH2:52][NH:53][C:54]([CH:55]([CH2:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[NH:63][CH3:64])=[O:65])([CH3:66])[CH3:67].[CH2:68]([N:69]([CH:70]([CH3:71])[CH3:72])[CH:73]([CH3:74])[CH3:75])[CH3:76].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[Cl:82][CH2:83][Cl:84].[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:12])[N:63]([CH:55]([C:54]([NH:53][CH2:52][C:51]([O:50][C:47]([CH3:48])=[O:49])([CH3:66])[CH3:67])=[O:65])[CH2:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH3:64])[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

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 20827151[2-Methyl-1-[[2-(methylamino)-3-phenylpropanoyl]amino]propan-2-yl] acetateHCID 223269722-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Product 1

HCID 20827150[2-Methyl-1-[[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propan-2-yl] acetate

Sources & evidence

ORD record
ord-7d5d9a01226d411c85e509ea519b37d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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