Hydrochloric Acid → Ethyl 3-{[(4-{[(5-cyano-3-methyl-1-benzofuran-2-yl)(cyclohexyl)methyl]amino}phenyl)carbonyl]amino}propanoate

HRID 296146Notes

Reaction equation

HRID 296146 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:28])[c:9]([CH:11]([CH:12]3[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[NH:18][c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]3)[o:10]2)[cH:29]1.[CH2:31]([CH3:32])[O:33][C:34]([CH2:35][CH2:36][NH2:37])=[O:38].[CH2:51]([N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])[CH3:61].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[ClH:30].[ClH:50].[ClH:62].[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:28])[c:9]([CH:11]([CH:12]3[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[NH:18][c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:37][CH2:36][CH2:35][C:34]([O:33][CH2:31][CH3:32])=[O:38])[cH:26][cH:27]3)[o:10]2)[cH:29]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 419889Ethyl 3-aminopropanoateHCID 667776914-{[(5-Cyano-3-methyl-1-benzofuran-2-yl)(cyclohexyl)methyl]amino}benzoic acid

Product 1

HCID 66778037Ethyl 3-{[(4-{[(5-cyano-3-methyl-1-benzofuran-2-yl)(cyclohexyl)methyl]amino}phenyl)carbonyl]amino}propanoate

Sources & evidence

ORD record
ord-79302633c85f4339a40d1221a8654208
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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