Hydrochloric Acid → HCID 178483188, compound

HRID 1119308Notes

Reaction equation

HRID 1119308 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.[CH2:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH:67]([CH3:68])[CH3:69])[CH3:70].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:47][NH:48][CH2:49][CH2:50][c:51]1[c:52]([NH:57][S:58](=[O:59])(=[O:60])[CH3:61])[cH:53][cH:54][cH:55][cH:56]1.[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[Cl:76][CH2:77][Cl:78].[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:48]([CH3:47])[CH2:49][CH2:50][c:51]1[c:52]([NH:57][S:58](=[O:59])(=[O:60])[CH3:61])[cH:53][cH:54][cH:55][cH:56]1)[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 10561338N-(2-(2-(methylamino)ethyl)phenyl)methanesulfonamideHCID 223269722-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Product 1

HCID 178483188HCID 178483188, compound

Sources & evidence

ORD record
ord-f00a0d45c5dc4e638c367f92880daeb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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