Potassium Cation → Pivalic acid 6-{2-[(3-fluoro-4-hydroxybenzoyl)isopropylamino]-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl ester

HRID 300187Notes

Reaction equation

HRID 300187 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[c:6]([F:42])[cH:7][c:8]([C:9](=[O:10])[N:11]([c:12]2[c:13]([CH:20]3[CH2:21][c:22]4[cH:23][cH:24][c:25]([O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:26][c:27]4[CH2:28][CH2:29]3)[cH:14][cH:15][c:16]([O:18][CH3:19])[cH:17]2)[CH:37]([CH3:38])[CH3:39])[cH:40][cH:41]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][OH:51].[K+:48].[K+:49].[OH2:43]>>[OH:4][c:5]1[c:6]([F:42])[cH:7][c:8]([C:9](=[O:10])[N:11]([c:12]2[c:13]([CH:20]3[CH2:21][c:22]4[cH:23][cH:24][c:25]([O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:26][c:27]4[CH2:28][CH2:29]3)[cH:14][cH:15][c:16]([O:18][CH3:19])[cH:17]2)[CH:37]([CH3:38])[CH3:39])[cH:40][cH:41]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 57934107Pivalic acid 6-{2-[(4-acetoxy-3-fluorobenzoyl)isopropylamino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-yl ester

Product 1

HCID 57934527Pivalic acid 6-{2-[(3-fluoro-4-hydroxybenzoyl)isopropylamino]-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl ester

Sources & evidence

ORD record
ord-f99ca0b91c5d4a74b9cc3f9d4113cd95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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