Bicarbonate Ion → 3-[4-(4-Fluorophenyl)-piperazine-1-carbonyloxymethyl]-morpholine-4-carboxylic acid tert-butyl ester

HRID 1125487Notes

Reaction equation

HRID 1125487 reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([CH2:16][OH:17])[CH2:12][O:13][CH2:14][CH2:15]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[H-:2].[N+:18]([c:19]1[cH:20][cH:21][c:22]([O:27][C:28](=[O:23])[N:30]2[CH2:31][CH2:32][N:33]([c:36]3[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]3)[CH2:34][CH2:35]2)[cH:24][cH:25]1)([O-:26])=[O:29].[Na+:1].[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([CH2:16][O:17][C:28](=[O:27])[N:30]2[CH2:31][CH2:32][N:33]([c:36]3[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]3)[CH2:34][CH2:35]2)[CH2:12][O:13][CH2:14][CH2:15]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 166653HydrideHCID 5058359Tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylateHCID 595944824-(4-Fluorophenyl)-piperazine-1-carboxylic acid 4-nitrophenyl ester

Product 1

HCID 669345503-[4-(4-Fluorophenyl)-piperazine-1-carbonyloxymethyl]-morpholine-4-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-e7c86b14f3754b78887d18a7deaea1b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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