Pentafluorobenzyl bromide → (2,3,4,5,6-Pentafluorophenyl)methyl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate

HRID 147538Notes

Reaction equation

HRID 147538 reaction equation
[C:1](=[O:2])([OH:3])[C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[F:24][c:25]1[c:26]([CH2:27][Br:28])[c:29]([F:36])[c:30]([F:35])[c:31]([F:34])[c:32]1[F:33]>>[C:1](=[O:2])([O:3][CH2:27][c:26]1[c:25]([F:24])[c:32]([F:33])[c:31]([F:34])[c:30]([F:35])[c:29]1[F:36])[C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2

Participants

3

Reactant 2

HCID 74484Pentafluorobenzyl bromideHCID 231496734-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

Product 1

HCID 23149702(2,3,4,5,6-Pentafluorophenyl)methyl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate

Sources & evidence

ORD record
ord-2f9d24a6b31d4b7aae0dce78d0db11a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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