Potassium Cation → 1-{4'-[4-(2-Benzylsulfanyl-1-hydroxy-ethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

HRID 116496Notes

Reaction equation

HRID 116496 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH:27]5[O:28][CH2:29]5)[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[SH:43].[K+:34].[K+:35].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH:27]([OH:28])[CH2:29][S:43][CH2:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 7509Benzyl mercaptanHCID 19660Carbonate IonHCID 866524031-[4'-(3-Methyl-4-oxiranyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

Product 1

HCID 665772271-{4'-[4-(2-Benzylsulfanyl-1-hydroxy-ethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-fc746cd985c4425aad922cbcc9484b50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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