Hydrochloric Acid → HCID 178476305, compound

HRID 1145711Notes

Reaction equation

HRID 1145711 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][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].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[Cl:76][CH2:77][Cl:78].[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: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

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 223269953-[[2-[Methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propyl acetateHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid

Product 1

HCID 178476305HCID 178476305, compound

Sources & evidence

ORD record
ord-6e80d858de0340a7b1cd8702a58a6de5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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