Potassium Cation → (RS)-4-{4-[3-(4-chloro-phenyl)-ureido]-phenyl}-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

HRID 1225277

Reaction equation

HRID 1225277 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:20])([CH3:21])[O:10][CH2:11][CH:12]1[c:13]1[cH:14][cH:15][c:16]([I:19])[cH:17][cH:18]1.[CH2:35]([NH:36][CH2:37][CH2:38][NH:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[Cl:22][c:23]1[cH:24][cH:25][c:26]([NH:29][C:30](=[O:31])[NH2:32])[cH:27][cH:28]1.[Cu:58][I:59].[F-:33].[K+:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:20])([CH3:21])[O:10][CH2:11][CH:12]1[c:13]1[cH:14][cH:15][c:16]([NH:32][C:30]([NH:29][c:26]2[cH:25][cH:24][c:23]([Cl:22])[cH:28][cH:27]2)=[O:31])[cH:17][cH:18]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8793BenzathineHCID 87964-ChlorophenylureaHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 67151644(RS)-4-(4-iodo-phenyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

Product 1

HCID 67151498(RS)-4-{4-[3-(4-chloro-phenyl)-ureido]-phenyl}-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-042c5a0cddd841dea29fc93aa6f06387
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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