1-(Bromomethyl)-4-(2-methylpropyl)benzene → [4-(2-methylpropyl)phenyl]methyl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate

HRID 154494Notes

Reaction equation

HRID 154494 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.[CH3:24][CH:25]([CH2:26][c:27]1[cH:28][cH:29][c:30]([CH2:31][Br:32])[cH:33][cH:34]1)[CH3:35]>>[C:1]([O:2][CH2:31][c:30]1[cH:29][cH:28][c:27]([CH2:26][CH:25]([CH3:24])[CH3:35])[cH:34][cH:33]1)(=[O: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

Participants

3

Reactant 2

HCID 146204471-(Bromomethyl)-4-(2-methylpropyl)benzeneHCID 231496734-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

Product 1

HCID 178440947[4-(2-methylpropyl)phenyl]methyl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate

Sources & evidence

ORD record
ord-ed4ec318a0a74302b2f6b41f7076a8fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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