Sodium ion → {1-[4-(7-Bromo-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester

HRID 1124797Notes

Reaction equation

HRID 1124797 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:19])[c:7]([I:18])[c:8](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[o:9][c:10]2[cH:11]1.[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25]([NH:26][C:27]1([c:31]2[cH:32][cH:33][c:34]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:35][cH:36]2)[CH2:28][CH2:29][CH2:30]1)=[O:46].[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:53]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:19])[c:7](-[c:34]3[cH:33][cH:32][c:31]([C:27]4([NH:26][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:46])[CH2:28][CH2:29][CH2:30]4)[cH:36][cH:35]3)[c:8](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[o:9][c:10]2[cH:11]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 58326444tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutyl)carbamateHCID 670678677-Bromo-3-iodo-2-phenyl-chromen-4-one

Product 1

HCID 67067747{1-[4-(7-Bromo-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-d579690e42f94d6f822e62694459764d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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