Boronic Acid → [4-(4-Ethylsulfonylphenyl)-2-fluorophenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

HRID 112608Notes

Reaction equation

HRID 112608 reaction equation
[BH:22]([OH:23])[OH:24].[Br:1][c:2]1[cH:3][c:4]([F:21])[c:5]([C:8](=[O:9])[N:10]2[CH:11]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1.[CH2:25]([CH3:26])[S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([S:27]([CH2:25][CH3:26])(=[O:28])=[O:29])[cH:35][cH:34]2)[cH:3][c:4]([F:21])[c:5]([C:8](=[O:9])[N:10]2[CH:11]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 61668Boronic AcidHCID 69032(Ethylsulphonyl)benzeneHCID 11966062(4-Bromo-2-fluoro-phenyl)-(2-pyrrolidin-1-ylmethyl-pyrrolidin-yl)methanone

Product 1

HCID 57980128[4-(4-Ethylsulfonylphenyl)-2-fluorophenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Sources & evidence

ORD record
ord-4408e960962a4b448be49979c6c14bde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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