4-Fluorobenzoyl chloride → (4-nitrophenyl)methyl N-[1-[[4-[(4-fluorobenzoyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate

HRID 701420Notes

Reaction equation

HRID 701420 reaction equation
[C:1]([O:2][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH:11]([CH2:20][N:21]2[CH2:22][CH2:23][CH:24]([N:27]([CH2:28][CH:29]=[CH2:30])[C:31](=[O:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]3)[CH2:25][CH2:26]2)[CH:12]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:13]1)([CH3:3])([CH3:4])[CH3:5].[F:44][c:45]1[cH:46][cH:47][c:48]([C:49]([Cl:50])=[O:51])[cH:52][cH:53]1>>[C:6](=[O:7])([NH:8][CH:9]1[CH2:10][CH:11]([CH2:20][N:21]2[CH2:22][CH2:23][CH:24]([N:27]([CH2:28][CH:29]=[CH2:30])[C:31](=[O:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]3)[CH2:25][CH2:26]2)[CH:12]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:13]1)[c:48]1[cH:47][cH:46][c:45]([F:44])[cH:53][cH:52]1

Participants

3

Reactant 2

HCID 678794-Fluorobenzoyl chlorideHCID 181876031-(SR)-((t-Butoxycarbonyl)amino)-3-(SR)-((4-(N-(4-nitrobenzyloxycarbonyl)-N-(allyl)amino)piperidin-1-yl)methyl)-4-(SR)-phenylcyclopentane

Product 1

HCID 18372796(4-nitrophenyl)methyl N-[1-[[4-[(4-fluorobenzoyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate

Sources & evidence

ORD record
ord-270267800d5640efb3257240cb28d949
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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