Hydrochloric Acid → HCID 178483187, compound

HRID 1234425Notes

Reaction equation

HRID 1234425 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].[CH2:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH:76]([CH3:77])[CH3:78])[CH3:79].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:40][S:41](=[O:42])(=[O:43])[NH:44][c:45]1[c:46]([CH2:51][CH2:52][N:53]([C:54]([CH:55]([CH2:56][c:57]2[cH:58][c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]3[cH:65][cH:66]2)[NH:67][CH3:68])=[O:69])[CH3:70])[cH:47][cH:48][cH:49][cH:50]1.[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[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][CH:11]=[CH:12][C:13](=[O:15])[N:67]([CH:55]([C:54]([N:53]([CH2:52][CH2:51][c:46]1[c:45]([NH:44][S:41]([CH3:40])(=[O:42])=[O:43])[cH:50][cH:49][cH:48][cH:47]1)[CH3:70])=[O:69])[CH2:56][c:57]1[cH:58][c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[cH:65][cH:66]1)[CH3:68])([CH3:16])[CH3:17]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acidHCID 178483150HCID 178483150, compound

Product 1

HCID 178483187HCID 178483187, compound

Sources & evidence

ORD record
ord-da5a48256a8845c2ab97f6f4548648ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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