Hydrochloric Acid → (+/-)-3-({5-[1-(4'-Tert-butyl-2,6-dimethyl-biphenyl-4-yloxy)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid methyl ester

HRID 204087Notes

Reaction equation

HRID 204087 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([CH3:29])[cH:13][c:14]([O:18][CH:19]([CH3:20])[c:21]3[cH:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[s:25]3)[cH:15][c:16]2[CH3:17])[cH:9][cH:10]1.[CH3:31][O:32][C:33]([CH2:34][CH2:35][NH2:36])=[O:37].[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[ClH:30].[ClH:58].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:38].[OH2:75].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([CH3:29])[cH:13][c:14]([O:18][CH:19]([CH3:20])[c:21]3[cH:22][cH:23][c:24]([C:26](=[O:27])[NH:36][CH2:35][CH2:34][C:33]([O:32][CH3:31])=[O:37])[s:25]3)[cH:15][c:16]2[CH3:17])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 192794Methyl beta-alanateHCID 67485042(+/-)-5-[1-(4'-Tert-butyl-2,6-dimethyl-biphenyl-4-yloxy)-ethyl]-thiophene-2-carboxylic acid

Product 1

HCID 59355988(+/-)-3-({5-[1-(4'-Tert-butyl-2,6-dimethyl-biphenyl-4-yloxy)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid methyl ester

Sources & evidence

ORD record
ord-0e2eca8d96fe4c7f8a4aece103233679
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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