Ammonium → 3-(5-(2-chloropyrimidin-4-yl)-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-4-yl)-2-fluoroaniline

HRID 2316351Notes

Reaction equation

HRID 2316351 reaction equation
[Br:1][c:2]1[n:3][c:4]([CH:22]2[CH2:23][CH2:24]2)[n:5]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[c:6]1-[c:7]1[n:8][c:9]([Cl:13])[n:10][cH:11][cH:12]1.[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[Cl-:54].[F:25][c:26]1[c:27]([NH2:28])[cH:29][cH:30][cH:31][c:32]1[B:33]1[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]1.[NH4+:55].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47]>>[c:2]1(-[c:32]2[c:26]([F:25])[c:27]([NH2:28])[cH:29][cH:30][cH:31]2)[n:3][c:4]([CH:22]2[CH2:23][CH2:24]2)[n:5]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[c:6]1-[c:7]1[n:8][c:9]([Cl:13])[n:10][cH:11][cH:12]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 581644342-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 866514084-(4-bromo-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy) methyl)-1H-imidazol-5-yl)-2-chloropyrimidine

Product 1

HCID 866514093-(5-(2-chloropyrimidin-4-yl)-2-cyclopropyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-4-yl)-2-fluoroaniline

Sources & evidence

ORD record
ord-d04946ec9ecb4d628f29675994c3fe9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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