Hydrochloric Acid → 3-[[2-[methyl-[2-[methyl-[2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propyl acetate

HRID 288787Notes

Reaction equation

HRID 288787 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][C:13](=[O:14])[OH:15])([CH3:16])[CH3:17].[C:40]([CH3:41])(=[O:42])[O:43][CH2:44][CH2:45][CH2:46][NH:47][C:48]([CH:49]([CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[N:57]([CH3:58])[C:59]([CH:60]([CH2:61][c:62]1[cH:63][c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[cH:70][cH:71]1)[NH:72][CH3:73])=[O:74])=[O:75].[CH2:29]([N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH3:39].[CH:76]([N:77]([CH:78]([CH3:79])[CH3:80])[CH2:81][CH3:82])([CH3:83])[CH3:84].[Cl:85][CH2:86][Cl:87].[ClH:28].[OH:18][n:19]1[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][C:13](=[O:15])[N:72]([CH:60]([C:59]([N:57]([CH:49]([C:48]([NH:47][CH2:46][CH2:45][CH2:44][O:43][C:40]([CH3:41])=[O:42])=[O:75])[CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH3:58])=[O:74])[CH2:61][c:62]1[cH:63][c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[cH:70][cH:71]1)[CH3:73])([CH3:16])[CH3:17]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 10776871(2-Bocamino-2-methyl-propoxy)-acetic acidHCID 223269953-[[2-[Methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propyl acetate

Product 1

HCID 1784763063-[[2-[methyl-[2-[methyl-[2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propyl acetate

Sources & evidence

ORD record
ord-e19e4fed656d48dd8a93a8f0390b8e1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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