Bromide ion → 4-(Tetrahydro-furan-2-ylmethyl)-piperazine-1-carboxylic acid 4-[2-(4-chloro-phenyl)-ethylcarbamoyl]-phenyl ester

HRID 1535231Notes

Reaction equation

HRID 1535231 reaction equation
[Br-:35].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([C:11]([NH:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)=[O:22])[cH:9][cH:10]1.[K+:36].[O:23]1[CH:24]([CH2:28][N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[CH2:25][CH2:26][CH2:27]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][c:8]([C:11]([NH:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)=[O:22])[cH:9][cH:10]1)[N:32]1[CH2:31][CH2:30][N:29]([CH2:28][CH:24]2[O:23][CH2:27][CH2:26][CH2:25]2)[CH2:34][CH2:33]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 813Potassium CationHCID 27372651-(Tetrahydro-2-furylmethyl)piperazineHCID 865892134-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-phenyl chloroformate

Product 1

HCID 695192894-(Tetrahydro-furan-2-ylmethyl)-piperazine-1-carboxylic acid 4-[2-(4-chloro-phenyl)-ethylcarbamoyl]-phenyl ester

Sources & evidence

ORD record
ord-67a89bfc6bf840d7b31bab7045ca6732
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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