Sodium ion → Methyl 2-[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzoxazole-4-carboxylate

HRID 150505Notes

Reaction equation

HRID 150505 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:11][CH2:12][CH2:13]1.[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[Cl:20][c:21]1[o:22][c:23]2[c:24]([n:25]1)[c:26]([C:30](=[O:31])[O:32][CH3:33])[cH:27][cH:28][cH:29]2.[H-:19].[Na+:18]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:14]([CH3:15])([CH3:16])[CH3:17])[N:11]([c:21]2[o:22][c:23]3[c:24]([n:25]2)[c:26]([C:30](=[O:31])[O:32][CH3:33])[cH:27][cH:28][cH:29]3)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 166653HydrideHCID 56924368Methyl 2-chlorobenzo[d]oxazole-4-carboxylateHCID 57355299Tert-butyl 3-tert-butylpiperazine-1-carboxylate

Product 1

HCID 66873649Methyl 2-[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzoxazole-4-carboxylate

Sources & evidence

ORD record
ord-3b17215c7bc042aab36d917e392d795a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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