Water → 2-[3-[[4-[2-(2-bromoethoxy)ethoxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

HRID 670278Notes

Reaction equation

HRID 670278 reaction equation
[Br:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38][Br:39].[C:27](=[O:28])([O-:29])[O-:30].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:1][c:2]1[c:3]([CH2:19][c:20]2[cH:21][cH:22][c:23]([OH:26])[cH:24][cH:25]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:17][OH:18])[CH:11]([OH:16])[CH:12]([OH:15])[CH:13]2[OH:14])[cH:6][cH:7]1.[Cs+:31].[Cs+:32].[OH2:45]>>[Cl:1][c:2]1[c:3]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH2:38][CH2:37][O:36][CH2:35][CH2:34][Br:33])[cH:24][cH:25]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:17][OH:18])[CH:11]([OH:16])[CH:12]([OH:15])[CH:13]2[OH:14])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 21521Bis(2-bromoethyl) etherHCID 104967Cesium cation2×HCID 75050737((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)Methyl acetate

Product 1

HCID 1785200792-[3-[[4-[2-(2-bromoethoxy)ethoxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Sources & evidence

ORD record
ord-2dcc4206d55d40fb855aa10d90ba0a45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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