Bromide ion → 5-(4'-[1,3]dioxan-2-yl-biphenyl-2-yl)-2-(1-methyl-1-phenylethyl)-2H-tetrazole

HRID 2151954Notes

Reaction equation

HRID 2151954 reaction equation
[Br-:27].[CH3:41][O:42][C:43]([CH3:44])([CH3:45])[CH3:46].[Cl-:47].[Cl-:49].[Cl:6][c:7]1[c:8](-[c:13]2[n:14][n:15][n:16]([C:18]([CH3:19])([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH3:26])[n:17]2)[cH:9][cH:10][cH:11][cH:12]1.[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:28]1[CH:29]([c:34]2[cH:35][cH:36][c:37]([Mg+:40])[cH:38][cH:39]2)[O:30][CH2:31][CH2:32][CH2:33]1.[Zn+2:48]>>[c:7]1(-[c:37]2[cH:36][cH:35][c:34]([CH:29]3[O:28][CH2:33][CH2:32][CH2:31][O:30]3)[cH:39][cH:38]2)[c:8](-[c:13]2[n:14][n:15][n:16]([C:18]([CH3:19])([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH3:26])[n:17]2)[cH:9][cH:10][cH:11][cH:12]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 312Chloride2×HCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 32051Zinc(2+)HCID 542959905-(2-chloro-phenyl)-2-(1-methyl-1-phenyl-ethyl)-2H-tetrazoleHCID 178507001HCID 178507001, compound

Product 1

HCID 113393185-(4'-[1,3]dioxan-2-yl-biphenyl-2-yl)-2-(1-methyl-1-phenylethyl)-2H-tetrazole

Sources & evidence

ORD record
ord-2d51e4b179ed4a78ae0d32d47b4ce778
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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