Ammonium → 5-(4'-dimethoxymethyl-biphenyl-2-yl)-2-(tetrahydro-pyran-2-yl)2H-tetrazole

HRID 2157006Notes

Reaction equation

HRID 2157006 reaction equation
[Br-:23].[Br:11][c:12]1[cH:13][cH:14][c:15]([CH:18]([O:19][CH3:20])[O:21][CH3:22])[cH:16][cH:17]1.[C:74]([O:75][CH:76]([CH3:77])[CH3:78])(=[O:79])[CH3:80].[CH3:24][O:25][CH:26]([O:27][CH3:28])[c:29]1[cH:30][cH:31][c:32]([Mg+:33])[cH:34][cH:35]1.[CH3:2][CH:3]([CH2:4][AlH:5][CH2:6][CH:7]([CH3:8])[CH3:9])[CH3:10].[CH3:72][OH:73].[Cl-:81].[Cl:36][c:37]1[c:38](-[c:43]2[n:44][n:45][n:46]([CH:48]3[O:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[n:47]2)[cH:39][cH:40][cH:41][cH:42]1.[Cl:54][c:55]1[cH:56][cH:57][cH:58][cH:59][c:60]1-[c:61]1[n:62]([CH:63]2[CH2:64][CH2:65][CH2:66][CH2:67][O:68]2)[n:69][n:70][n:71]1.[Mg:1].[NH4+:82].[O:83]1[CH2:84][CH2:85][CH2:86][CH2:87]1.[OH2:88]>>[c:12]1(-[c:37]2[c:38](-[c:43]3[n:44][n:45][n:46]([CH:48]4[O:49][CH2:50][CH2:51][CH2:52][CH2:53]4)[n:47]3)[cH:39][cH:40][cH:41][cH:42]2)[cH:13][cH:14][c:15]([CH:18]([O:19][CH3:20])[O:21][CH3:22])[cH:16][cH:17]1

Participants

14

Reactant 13

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 887MethanolHCID 962WaterHCID 7915Isopropyl AcetateHCID 8028TetrahydrofuranHCID 14487Diisobutylaluminum hydrideHCID 6883421-Bromo-4-(dimethoxymethyl)benzeneHCID 5462224MagnesiumHCID 675464055-(2-chlorophenyl)-1-(tetrahydropyran-2-yl)-1H-tetrazoleHCID 675468845-(2-Chlorophenyl)-2-(oxan-2-yl)-2H-tetrazoleHCID 178499442HCID 178499442, compound

Product 1

HCID 686269945-(4'-dimethoxymethyl-biphenyl-2-yl)-2-(tetrahydro-pyran-2-yl)2H-tetrazole

Sources & evidence

ORD record
ord-8a7dba824cc845ecae15ddaffb1d64e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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