Bromide ion → 5-(4'-diethoxymethyl-biphenyl-2-yl)-2-(tetrahydropyran-2-yl)-2H-tetrazole

HRID 2162055Notes

Reaction equation

HRID 2162055 reaction equation
[Br-:20].[Br:2][CH2:3][CH2:4][Br:5].[Br:35][c:36]1[c:37](-[c:42]2[n:43][n:44][n:45]([CH:47]3[O:48][CH2:49][CH2:50][CH2:51][CH2:52]3)[n:46]2)[cH:38][cH:39][cH:40][cH:41]1.[Br:53][c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1-[c:60]1[n:61]([CH:62]2[CH2:63][CH2:64][CH2:65][CH2:66][O:67]2)[n:68][n:69][n:70]1.[Br:6][c:7]1[cH:8][cH:9][c:10]([CH:13]([O:14][CH2:15][CH3:16])[O:17][CH2:18][CH3:19])[cH:11][cH:12]1.[CH2:21]([O:22][CH:23]([O:24][CH2:25][CH3:26])[c:27]1[cH:28][cH:29][c:30]([Mg+:31])[cH:32][cH:33]1)[CH3:34].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[Cl-:88].[Cl-:90].[Mg:1].[Na+:71].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1.[OH2:81].[OH:72][C:73](=[O:74])[O-:75].[Zn+2:89]>>[c:7]1(-[c:36]2[c:37](-[c:42]3[n:43][n:44][n:45]([CH:47]4[O:48][CH2:49][CH2:50][CH2:51][CH2:52]4)[n:46]3)[cH:38][cH:39][cH:40][cH:41]2)[cH:8][cH:9][c:10]([CH:13]([O:14][CH2:15][CH3:16])[O:17][CH2:18][CH3:19])[cH:11][cH:12]1

Participants

15

Reactant 14

HCID 259Bromide ionHCID 312Chloride2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 78391,2-DibromoethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 32051Zinc(2+)HCID 6883401-Bromo-4-(diethoxymethyl)benzeneHCID 5462224MagnesiumHCID 675460385-(2-bromophenyl)-1-(tetrahydropyran-2-yl)-1H-tetrazoleHCID 675462855-(2-bromophenyl)-2-(tetrahydropyran-2-yl)-2H-tetrazoleHCID 178470949HCID 178470949, compound

Product 1

HCID 586182215-(4'-diethoxymethyl-biphenyl-2-yl)-2-(tetrahydropyran-2-yl)-2H-tetrazole

Sources & evidence

ORD record
ord-03ead736fb784717a30a5c5df6a5d607
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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