Hydrochloric Acid → Ethyl 3-[{[4-({1-[5-(3-methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

HRID 213315Notes

Reaction equation

HRID 213315 reaction equation
[CH2:40]([N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49])[CH3:50].[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]3)[c:12]([CH3:14])[o:13]2)[cH:6][cH:7][cH:8]1.[CH3:30][NH:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[ClH:39].[OH2:51].[OH:52][c:53]1[c:54]2[n:55][n:56][nH:57][c:58]2[cH:59][cH:60][cH:61]1>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[N:31]([CH3:30])[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:28][cH:29]3)[c:12]([CH3:14])[o:13]2)[cH:6][cH:7][cH:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 541480Ethyl 3-(methylamino)propanoateHCID 685123804-({1-[5-(3-Methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl}amino)benzoic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 68511355Ethyl 3-[{[4-({1-[5-(3-methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

Sources & evidence

ORD record
ord-6c6dfa98ccb540d1b067e01dffbb4d6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…