Benzenepropanoic acid → HCID 67212617, compound

HRID 2148790Notes

Reaction equation

HRID 2148790 reaction equation
[C:27]([CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)(=[O:36])[OH:37].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][cH:9][c:10](-[c:12]2[c:13]([CH2:22][NH:23][CH2:24][CH3:25])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:11]1)=[O:26]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][cH:9][c:10](-[c:12]2[c:13]([CH2:22][N:23]([CH2:24][CH3:25])[C:27]([CH2:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:37])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:11]1)=[O:26]

Participants

3

Reactant 2

HCID 107Benzenepropanoic acidHCID 67212445[5-(2-Ethylaminomethyl-4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic acid ethyl ester

Product 1

HCID 67212617HCID 67212617, compound

Sources & evidence

ORD record
ord-96b3520be2a54c03b7672fd8b8be0b32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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