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Hydrochloric Acid → 3-[4-(2'-Butoxy-5'-methyl-biphenyl-4-ylmethoxy)-phenyl]-3-(4-fluorophenyl)-propionic acid ethyl ester

HRID 1147626
Notes
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Reaction equation

HRID 1147626 reaction equation
[Br:22][CH2:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[c:31]([O:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:32][cH:33][c:34]([CH3:36])[cH:35]2)[cH:28][cH:29]1.[C:42](=[O:43])([O-:44])[O-:45].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1)[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)=[O:21].[ClH:48].[Cs+:46].[Cs+:47].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([O:13][CH2:23][c:24]2[cH:25][cH:26][c:27](-[c:30]3[c:31]([O:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:32][cH:33][c:34]([CH3:36])[cH:35]3)[cH:28][cH:29]2)[cH:11][cH:12]1)[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)=[O:21]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 578357253-(4-Fluorophenyl)-3-(4-hydroxyphenyl)-propionic acid ethyl esterHCID 59855113
4'-Bromomethyl-2-butoxy-5-methyl-biphenyl

Product 1

HCID 591326263-[4-(2'-Butoxy-5'-methyl-biphenyl-4-ylmethoxy)-phenyl]-3-(4-fluorophenyl)-propionic acid ethyl ester

Sources & evidence

ORD record
ord-308e5f43afe14a71bafa6fc33dac421d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes