Citric Acid → AM-206 free acid

HRID 2157825Notes

Reaction equation

[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[c:12]([CH2:21][N:22]([CH2:23][CH3:24])[C:25](=[O:26])[O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)=[O:35].[CH3:57][OH:58].[Li+:37].[OH-:38].[OH2:36].[OH:39][C:40]([CH2:41][C:42]([C:43](=[O:44])[OH:45])([CH2:46][C:47](=[O:48])[OH:49])[OH:50])=[O:51]>>[O:2]=[C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[c:12]([CH2:21][N:22]([CH2:23][CH3:24])[C:25](=[O:26])[O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)[OH:35]

Participants

Reactant 7

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 67212363(5-{2-[(N-benzyloxycarbonyl-N-ethyl-amino)-methyl]-4-trifluoromethyl-phenyl}-pyridin-3-yl)-acetic acid methyl ester

Product 1

HCID 45138625AM-206 free acid

Sources & evidence

ORD record: ord-a8af7aec5d824d8ba1cbcbc1e9032a76
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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