Sodium ion → 5-(4-Methyl-pyrimidin-2-yl)-indan-1-one

HRID 1548700Notes

Reaction equation

HRID 1548700 reaction equation
[Br:20][c:21]1[n:22][cH:23][cH:24][c:25]([CH3:27])[n:26]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:15]([cH:16][cH:17]2)[C:14](=[O:18])[CH2:13][CH2:12]3)[O:19]1.[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:40]>>[c:9]1(-[c:21]2[n:22][cH:23][cH:24][c:25]([CH3:27])[n:26]2)[cH:10][c:11]2[c:15]([cH:16][cH:17]1)[C:14](=[O:18])[CH2:13][CH2:12]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 109429282-Bromo-4-methylpyrimidineHCID 185417105-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-one

Product 1

HCID 584384675-(4-Methyl-pyrimidin-2-yl)-indan-1-one

Sources & evidence

ORD record
ord-7be0a7265ec8437c815c67b88dc30a92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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