Ammonium → Ethyl 3-{[(4-{[cyclohexyl(3-methylfuro[3,2-b]pyridin-2-yl)methyl]amino}phenyl)carbonyl]amino}propanoate

HRID 2338392Notes

Reaction equation

HRID 2338392 reaction equation
[CH2:29]([CH3:30])[O:31][C:32]([CH2:33][CH2:34][NH2:35])=[O:36].[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH:1]1([CH:7]([c:8]2[c:9]([CH3:17])[c:10]3[n:11][cH:12][cH:13][cH:14][c:15]3[o:16]2)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:60].[ClH:28].[ClH:48].[NH4+:61].[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH:1]1([CH:7]([c:8]2[c:9]([CH3:17])[c:10]3[n:11][cH:12][cH:13][cH:14][c:15]3[o:16]2)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:35][CH2:34][CH2:33][C:32]([O:31][CH2:29][CH3:30])=[O:36])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 419889Ethyl 3-aminopropanoateHCID 66778544HCID 66778544, compound

Product 1

HCID 66777166Ethyl 3-{[(4-{[cyclohexyl(3-methylfuro[3,2-b]pyridin-2-yl)methyl]amino}phenyl)carbonyl]amino}propanoate

Sources & evidence

ORD record
ord-33538229fd6046c09b375904b7c68840
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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