3-Cyclopentylpropionyl chloride → HCID 57841398, compound

HRID 1216526Notes

Reaction equation

HRID 1216526 reaction equation
[CH:31]1([CH2:36][CH2:37][C:38](=[O:39])[Cl:40])[CH2:32][CH2:33][CH2:34][CH2:35]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][NH:15][c:16]3[cH:17][c:18]4[c:19]([cH:27][cH:28]3)[O:20][C:21]([CH3:25])([CH3:26])[O:22][C:23]4=[O:24])[cH:29][cH:30]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]3[cH:17][c:18]4[c:19]([cH:27][cH:28]3)[O:20][C:21]([CH3:25])([CH3:26])[O:22][C:23]4=[O:24])[C:38]([CH2:37][CH2:36][CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)=[O:39])[cH:29][cH:30]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 660393-Cyclopentylpropionyl chlorideHCID 111543016-({4-[(4-chlorophenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Product 1

HCID 57841398HCID 57841398, compound

Sources & evidence

ORD record
ord-2cddb9df08c2462a88a9077f544b8c00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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