Carbonate Ion → Methyl 5-(2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-nitrobenzofuran-5-yl)-2-methoxybenzoate

HRID 675052Notes

Reaction equation

HRID 675052 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH3:32][O:33][c:34]1[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][c:41]([B:44]2[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]2)[cH:42][cH:43]1.[Cs+:57].[Cs+:58].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([N+:27](=[O:28])[O-:29])[cH:9][c:10]2[c:11]([c:12]([C:22]([NH:23][CH3:24])=[O:25])[c:13](-[c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[o:14]2)[cH:26]1)(=[O:30])=[O:31].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1>>[c:7]1(-[c:41]2[cH:40][c:35]([C:36](=[O:37])[O:38][CH3:39])[c:34]([O:33][CH3:32])[cH:43][cH:42]2)[c:8]([N+:27](=[O:28])[O-:29])[cH:9][c:10]2[c:11]([c:12]([C:22]([NH:23][CH3:24])=[O:25])[c:13](-[c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[o:14]2)[cH:26]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 22930502Methyl 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateHCID 592753912-(4-Fluorophenyl)-3-(methylcarbamoyl)-6-nitrobenzofuran-5-yl trifluoromethanesulfonate

Product 1

HCID 67957912Methyl 5-(2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-nitrobenzofuran-5-yl)-2-methoxybenzoate

Sources & evidence

ORD record
ord-c07e62efcd9d4133af42044399a3fe28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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