Sodium ion → 4-{1-[2-(5-methyl-tetrazol-1-yl)-ethyl]-1H-benzoimidazol-2-yl}-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 1573155Notes

Reaction equation

HRID 1573155 reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH2:23][N:24]([c:28]2[n:29][c:30]3[c:31]([n:32]2[CH2:33][CH2:34][O:35][S:36]([CH3:37])(=[O:38])=[O:39])[cH:40][cH:41][cH:42][cH:43]3)[CH2:25][CH2:26][CH2:27]1.[CH3:1][c:2]1[n:3][n:4][n:5][nH:6]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:7][N:8]([CH3:9])[CH:10]=[O:11].[H-:12].[Na+:13]>>[CH3:1][c:2]1[n:3]([CH2:34][CH2:33][n:32]2[c:28]([N:24]3[CH2:23][CH2:22][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:27][CH2:26][CH2:25]3)[n:29][c:30]3[c:31]2[cH:40][cH:41][cH:42][cH:43]3)[n:4][n:5][n:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 18464661HCID 18464661, compoundHCID 178434708HCID 178434708, compound

Product 1

HCID 701476184-{1-[2-(5-methyl-tetrazol-1-yl)-ethyl]-1H-benzoimidazol-2-yl}-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-d18f97113a334eeda4de1981c51a560e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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