Ethyl Acetate → Bromide ion

HRID 2333897Notes

Reaction equation

HRID 2333897 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11][cH:12]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[c:13]1([CH:19]([C:20](=[O:21])[O:22][CH:23]2[CH2:24][N:25]3[CH2:26][CH2:27][CH:28]2[CH2:29][CH2:30]3)[NH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[Br-:1].[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11][cH:12]1)[N+:25]12[CH2:24][CH:23]([O:22][C:20]([CH:19]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[NH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)=[O:21])[CH:28]([CH2:27][CH2:26]1)[CH2:29][CH2:30]2

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 27358673-(2-Bromoacetyl)benzonitrileHCID 594012151-Azabicyclo[2.2.2]octan-3-yl 2-anilino-2-phenylacetate

Product 2

HCID 259Bromide ionHCID 178509784HCID 178509784, compound

Sources & evidence

ORD record
ord-b6bdf71b8a094fff8f72aeaa9bfcd613
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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