Ammonium → [5-(4-{1-ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-2-yl]-acetic Acid Methyl Ester

HRID 202973Notes

Reaction equation

HRID 202973 reaction equation
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:24])[c:9]([C:12]#[C:13][C:14]2([O:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:10][cH:11]1)[c:25]1[cH:26][c:27]([CH3:40])[c:28]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:29][cH:30]1.[CH3:41][O:42][C:43]([CH2:44][c:45]1[n:46][cH:47][c:48]([Br:51])[cH:49][cH:50]1)=[O:52].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Cl-:61].[K+:58].[K+:59].[K+:60].[NH4+:62].[P:53]([O-:54])([O-:55])([O-:56])=[O:57]>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:24])[c:9]([C:12]#[C:13][C:14]2([O:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:10][cH:11]1)[c:25]1[cH:26][c:27]([CH3:40])[c:28](-[c:48]2[cH:47][n:46][c:45]([CH2:44][C:43]([O:42][CH3:41])=[O:52])[cH:50][cH:49]2)[cH:29][cH:30]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 53419526Methyl 2-(5-broMopyridin-2-yl)acetateHCID 577089762-(4-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Product 1

HCID 57709210[5-(4-{1-ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-2-yl]-acetic Acid Methyl Ester

Sources & evidence

ORD record
ord-62e230c4969a483b85c7e99b8ef54020
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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