Hydrochloric Acid → Ethyl 3-({[5-({1-[5-(6-methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)pyridin-2-yl]carbonyl}amino)propanoate

HRID 1125414Notes

Reaction equation

HRID 1125414 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][cH:5][c:6](-[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:27](=[O:28])[OH:29])[n:25][cH:26]3)[c:12]([CH3:14])[o:13]2)[cH:7][n:8]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[ClH:30].[ClH:39].[NH2:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38].[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][cH:5][c:6](-[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:27](=[O:28])[NH:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[n:25][cH:26]3)[c:12]([CH3:14])[o:13]2)[cH:7][n:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 419889Ethyl 3-aminopropanoateHCID 685145755-({1-[5-(6-Methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)pyridine-2-carboxylic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 68511602Ethyl 3-({[5-({1-[5-(6-methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)pyridin-2-yl]carbonyl}amino)propanoate

Sources & evidence

ORD record
ord-e5accdd8e9bc40a6a548f277ad6cc9f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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