Hydrochloric Acid → HCID 178485704, compound

HRID 147773Notes

Reaction equation

HRID 147773 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH:10]=[CH:11][C:12](=[O:13])[OH:14])([CH3:15])[CH3:16].[CH2:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH:78]([CH3:79])[CH3:80])[CH3:81].[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:39][N:40]([CH:41]([CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[c:49]1[n:50][n:51][c:52]([C:54](=[O:55])[NH2:56])[o:53]1)[C:57]([CH:58]([CH2:59][c:60]1[cH:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[cH:68][cH:69]1)[NH:70][CH3:71])=[O:72].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[Cl:82][CH2:83][Cl:84].[ClH:27].[OH:17][n:18]1[c:19]2[n:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH:10]=[CH:11][C:12](=[O:14])[N:70]([CH:58]([C:57]([N:40]([CH3:39])[CH:41]([CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[c:49]1[n:50][n:51][c:52]([C:54](=[O:55])[NH2:56])[o:53]1)=[O:72])[CH2:59][c:60]1[cH:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[cH:68][cH:69]1)[CH3:71])([CH3:15])[CH3:16]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 229493395-[1-[Methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-2-phenylethyl]-1,3,4-oxadiazole-2-carboxamideHCID 543222534-Tertbutoxycarbonylamino-4-methylpent-2-enoic acid

Product 1

HCID 178485704HCID 178485704, compound

Sources & evidence

ORD record
ord-13ca06f4fafa4ea3a689b518ac082f44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…