Hydrochloric Acid → HCID 178485623, compound

HRID 289684Notes

Reaction equation

HRID 289684 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].[CH2:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH:77]([CH3:78])[CH3:79])[CH3:80].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:40][NH:41][CH:42]([C:43](=[O:44])[N:45]([CH:46]([CH2:47][c:48]1[s:49][cH:50][cH:51][cH:52]1)[CH2:53][N:54]([S:55](=[O:56])(=[O:57])[CH3:58])[CH3:59])[CH3:60])[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.[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[Cl:86][CH2:87][Cl:88].[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:41]([CH3:40])[CH:42]([C:43](=[O:44])[N:45]([CH:46]([CH2:47][c:48]1[s:49][cH:50][cH:51][cH:52]1)[CH2:53][N:54]([S:55](=[O:56])(=[O:57])[CH3:58])[CH3:59])[CH3:60])[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)([CH3:16])[CH3:17]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 22327126HCID 22327126, compoundHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid

Product 1

HCID 178485623HCID 178485623, compound

Sources & evidence

ORD record
ord-98a268fcb8b44a6198cf060c43396d8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…