Potassium Cation → methyl 2-(N-tert-butoxycarbonyl-N-{(2'-[1-benzyl-1H-tetrazol-5-yl]biphenyl-4-yl)methyl}amino)-3-nitrobenzoate

HRID 1130019Notes

Reaction equation

HRID 1130019 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][c:35]1[c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42][cH:43][c:44]1[N+:45](=[O:46])[O-:47].[C:48](=[O:49])([O-:50])[O-:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][n:10][n:11][c:12]1-[c:13]1[c:14](-[c:19]2[cH:20][cH:21][c:22]([CH2:25][Br:26])[cH:23][cH:24]2)[cH:15][cH:16][cH:17][cH:18]1.[CH3:54][C:55]#[N:56].[K+:52].[K+:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][n:10][n:11][c:12]1-[c:13]1[c:14](-[c:19]2[cH:20][cH:21][c:22]([CH2:25][N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[c:35]3[c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42][cH:43][c:44]3[N+:45](=[O:46])[O-:47])[cH:23][cH:24]2)[cH:15][cH:16][cH:17][cH:18]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 9965968Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoateHCID 230199841-benzyl-5-[4'-(bromomethyl)biphenyl-2-yl]-1H-tetrazole

Product 1

HCID 69916454methyl 2-(N-tert-butoxycarbonyl-N-{(2'-[1-benzyl-1H-tetrazol-5-yl]biphenyl-4-yl)methyl}amino)-3-nitrobenzoate

Sources & evidence

ORD record
ord-887caa7167ef4dc7be16f365392d038e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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