4-Hydroxybenzoic Acid → N-[3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylpropyl]-4-hydroxybenzamide

HRID 2339560Notes

Reaction equation

HRID 2339560 reaction equation
[CH2:2]([n+:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][CH:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[c:29]([C:30]([F:31])([F:32])[F:33])[cH:34]2)[cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:80][CH2:81][N:82]([CH2:83][CH3:84])[CH2:85][CH3:86].[Cl-:1].[Cl:87][CH2:88][Cl:89].[ClH:53].[F:54][C:55]([c:56]1[cH:57][c:58]([CH2:59][O:60][CH2:61][CH:62]([CH2:63][NH2:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][c:72]([C:74]([F:75])([F:76])[F:77])[cH:73]1)([F:78])[F:79].[OH:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][c:49]([OH:50])[cH:51][cH:52]1>>[C:44](=[O:45])([c:46]1[cH:47][cH:48][c:49]([OH:50])[cH:51][cH:52]1)[NH:64][CH2:63][CH:62]([CH2:61][O:60][CH2:59][c:58]1[cH:57][c:56]([C:55]([F:54])([F:78])[F:79])[cH:73][c:72]([C:74]([F:75])([F:76])[F:77])[cH:71]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1

Participants

8

Reactant 7

HCID 1354-Hydroxybenzoic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 866240413-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropan-1-amineHCID 866240431-benzyl-N-[3-[[3,4-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pyridin-1-ium-4-carboxamide

Product 1

HCID 86624051N-[3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylpropyl]-4-hydroxybenzamide

Sources & evidence

ORD record
ord-86f6b770af8a4ef6b57e6c9f6d3563fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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