Potassium Cation → 2-(5-(3,4-bis(benzyloxy)-5-nitrophenyl)-2H-tetrazol-2-yl)-5-(trifluoromethyl)pyridine

HRID 2127514Notes

Reaction equation

HRID 2127514 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[cH:21][c:22](-[c:37]2[n:38][n:39][nH:40][n:41]2)[cH:23][c:24]([N+:34](=[O:35])[O-:36])[c:25]1[O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[Cl:51][CH2:52][Cl:53].[K+:46].[K+:47]>>[c:2]1(-[n:40]2[n:39][n:38][c:37](-[c:22]3[cH:21][c:20]([O:19][CH2:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[c:25]([O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:24]([N+:34](=[O:35])[O-:36])[cH:23]3)[n:41]2)[n:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 923422-Chloro-5-(trifluoromethyl)pyridineHCID 670370545-[3,4-Bis(benzyloxy)-5-nitrophenyl]-2H-tetrazole

Product 1

HCID 687056332-(5-(3,4-bis(benzyloxy)-5-nitrophenyl)-2H-tetrazol-2-yl)-5-(trifluoromethyl)pyridine

Sources & evidence

ORD record
ord-c3f850a95c3c4253a42e698d9929f9ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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