Hydrochloric Acid → 3-{4-[1-(4'-Trifluoromethyl-biphenyl-4-ylmethyl)-propoxy]-benzoylamino}-propionic acid methyl ester

HRID 1556142Notes

Reaction equation

HRID 1556142 reaction equation
[C:98]([O:99][CH2:100][CH3:101])(=[O:102])[CH3:103].[CH2:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH:77]([CH3:78])[CH3:79])[CH3:80].[CH3:65][O:66][C:67]([CH2:68][CH2:69][NH2:70])=[O:71].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH3:92][CH2:93][CH2:94][CH2:95][CH2:96][CH3:97].[ClH:64].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][CH:16]([CH2:17][CH3:18])[O:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]3)[cH:13][cH:14]2)[cH:7][cH:8]1)([F:29])[F:30].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][P+:40]([N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)([N:46]2[CH2:47][CH2:48][CH2:49][CH2:50]2)[N:51]2[CH2:52][CH2:53][CH2:54][CH2:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][CH:16]([CH2:17][CH3:18])[O:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:70][CH2:69][CH2:68][C:67]([O:66][CH3:65])=[O:71])[cH:27][cH:28]3)[cH:13][cH:14]2)[cH:7][cH:8]1)([F:29])[F:30]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 192794Methyl beta-alanateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 673415704-[1-(4'-Trifluoromethyl-biphenyl-4-ylmethyl)-propoxy]-benzoic acid

Product 1

HCID 673430863-{4-[1-(4'-Trifluoromethyl-biphenyl-4-ylmethyl)-propoxy]-benzoylamino}-propionic acid methyl ester

Sources & evidence

ORD record
ord-45a02eb6778d4626ba80348a4c39c6ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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