Bromide ion → tert-butyl 4-(1-hydroxyethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate

HRID 1128996Notes

Reaction equation

HRID 1128996 reaction equation
[Br-:24].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH:22]=[O:23])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[CH3:25][Mg+:26].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH:22]([OH:23])[CH3:25])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 178430768HCID 178430768, compoundHCID 178477777HCID 178477777, compound

Product 1

HCID 178466011tert-butyl 4-(1-hydroxyethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate

Sources & evidence

ORD record
ord-78af494b72d6438ea0e8f7cb71bc3c48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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