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Bicarbonate Ion → (5-Fluoro-4-methyl-pyrimidin-2-yl)-[3-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine

HRID 2128385
Notes
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Reaction equation

HRID 2128385 reaction equation
[CH3:10][c:11]1[cH:12][c:13]([NH2:26])[cH:14][c:15]([B:17]2[O:18][C:19]([CH3:24])([CH3:25])[C:20]([CH3:22])([CH3:23])[O:21]2)[cH:16]1.[CH3:27][S:28](=[O:29])(=[O:30])[OH:31].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:9])[c:6]([CH3:8])[n:7]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1>>[c:2]1([NH:26][c:13]2[cH:12][c:11]([CH3:10])[cH:16][c:15]([B:17]3[O:18][C:19]([CH3:24])([CH3:25])[C:20]([CH3:22])([CH3:23])[O:21]3)[cH:14]2)[n:3][cH:4][c:5]([F:9])[c:6]([CH3:8])[n:7]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6395Methanesulfonic AcidHCID 312751,4-DioxaneHCID 207780732-Chloro-5-fluoro-4-methylpyrimidineHCID 672361713-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Product 1

HCID 58456078
(5-Fluoro-4-methyl-pyrimidin-2-yl)-[3-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine

Sources & evidence

ORD record
ord-64428d632b01498bb1e4f194bc11fb25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes