Chloride → Methyl 5-(3,4,5,6-tetramethoxy-2-methylbenzyl)-2-(2-methoxyphenyl)benzoate

HRID 686370Notes

Reaction equation

HRID 686370 reaction equation
[BH:43]([OH:44])[OH:45].[CH3:1][O:2][c:3]1[c:4]([CH3:34])[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16]2)[c:25]([O:32][CH3:33])[c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29].[CH3:46][O:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl-:42].[Li+:41].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40]>>[CH3:1][O:2][c:3]1[c:4]([CH3:34])[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10](-[c:49]3[c:48]([O:47][CH3:46])[cH:53][cH:52][cH:51][cH:50]3)[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16]2)[c:25]([O:32][CH3:33])[c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29]

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ion2×HCID 1140TolueneHCID 7519AnisoleHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 28486Lithium ionHCID 61668Boronic AcidHCID 21919171HCID 21919171, compound

Product 1

HCID 21919154Methyl 5-(3,4,5,6-tetramethoxy-2-methylbenzyl)-2-(2-methoxyphenyl)benzoate

Sources & evidence

ORD record
ord-3f9ab70d3cd5433ebc87c7ffe2bf624f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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