Hydrochloric Acid → HCID 178476281, compound

HRID 150253Notes

Reaction equation

HRID 150253 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][CH:11]=[CH:12][C:13](=[O:14])[OH:15])([CH3:16])[CH3:17].[C:40]([CH3:41])(=[O:42])[O:43][C:44]([CH2:45][NH:46][C:47]([CH:48]([CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[N:56]([C:57]([CH:58]([CH2:59][c:60]1[cH:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[cH:68][cH:69]1)[NH:70][CH3:71])=[O:72])[CH3:73])=[O:74])([CH3:75])[CH3:76].[CH2:77]([N:78]([CH:79]([CH3:80])[CH3:81])[CH:82]([CH3:83])[CH3:84])[CH3:85].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:86][N:87]([CH3:88])[CH:89]=[O:90].[CH3:94][CH2:95][O:96][C:97](=[O:98])[CH3:99].[Cl:91][CH2:92][Cl:93].[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][CH:11]=[CH:12][C:13](=[O:15])[N:70]([CH:58]([C:57]([N:56]([CH:48]([C:47]([NH:46][CH2:45][C:44]([O:43][C:40]([CH3:41])=[O:42])([CH3:75])[CH3:76])=[O:74])[CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH3:73])=[O:72])[CH2:59][c:60]1[cH:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[cH:68][cH:69]1)[CH3:71])([CH3:16])[CH3:17]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 20827149[2-Methyl-1-[[2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propan-2-yl] acetateHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid

Product 1

HCID 178476281HCID 178476281, compound

Sources & evidence

ORD record
ord-f1d3c5cbd79741ee81efe4013e06bb66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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