Hydrochloric Acid → HCID 178483193, compound

HRID 107397Notes

Reaction equation

HRID 107397 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].[CH2:69]([N:70]([CH:71]([CH3:72])[CH3:73])[CH:74]([CH3:75])[CH3:76])[CH3:77].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[Cl:78][CH2:79][Cl:80].[ClH:28].[NH2:40][CH:41]([C:42](=[O:43])[N:44]([CH3:45])[CH2:46][CH2:47][c:48]1[c:49]([O:54][CH2:55][CH2:56][OH:57])[cH:50][cH:51][cH:52][cH:53]1)[CH2:58][c:59]1[cH:60][c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[cH:67][cH:68]1.[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])[NH:40][CH:41]([C:42](=[O:43])[N:44]([CH3:45])[CH2:46][CH2:47][c:48]1[c:49]([O:54][CH2:55][CH2:56][OH:57])[cH:50][cH:51][cH:52][cH:53]1)[CH2:58][c:59]1[cH:60][c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[cH:67][cH:68]1)([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 178483195HCID 178483195, compound

Product 1

HCID 178483193HCID 178483193, compound

Sources & evidence

ORD record
ord-d8a20b57bf1443eda1a637e413684cb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…