Sodium ion → Phenylmethyl [4-(4-fluorophenyl)-4-methoxy-1-cyclohexyl]-1-piperazinecarboxylate

HRID 1142797Notes

Reaction equation

HRID 1142797 reaction equation
[BH4-:33].[CH3:35][CH:36]([CH3:37])[O-:38].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:48][CH:49]([CH3:50])[O-:51].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:15][CH3:16])[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[N:17]1([C:23](=[O:24])[O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[Na+:34].[Ti+4:39]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:15][CH3:16])[CH2:9][CH2:10][CH:11]([CH:18]3[N:17]([C:23](=[O:24])[O:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:22][CH2:21][NH:20][CH2:19]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 643495Benzyl piperazine-1-carboxylateHCID 3260420Isopropanolate4×HCID 184002134-(4-Fluorophenyl)-4-methoxycyclohexanone

Product 1

HCID 86748438Phenylmethyl [4-(4-fluorophenyl)-4-methoxy-1-cyclohexyl]-1-piperazinecarboxylate

Sources & evidence

ORD record
ord-6e34987b70b24b7688c183cde90a0645
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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