Sodium ion → HCID 58968646, compound

HRID 2139619Notes

Reaction equation

HRID 2139619 reaction equation
[Br:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[n:7][n:8][nH:9][n:10]2)[CH2:11][c:12]2[cH:13][c:14]([C:22]([F:23])([F:24])[F:25])[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[c:28]([CH3:30])[cH:29]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][O:47][S:48]([O:49][CH3:50])(=[O:51])=[O:52].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40]>>[Br:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[n:7][n:8][n:9]([CH3:38])[n:10]2)[CH2:11][c:12]2[cH:13][c:14]([C:22]([F:23])([F:24])[F:25])[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[c:28]([CH3:30])[cH:29]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6497Dimethyl SulfateHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 58968655N-(2-bromo-4-methyl-5-(trifluoromethyl)benzyl)-N-(3,5-bis(trifluoromethyl)benzyl)-2H-tetrazol-5-amine

Product 1

HCID 58968646HCID 58968646, compound

Sources & evidence

ORD record
ord-86567d2607364a509df2cde2a53f85ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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