Sodium ion → [2-(3-Chloro-5-{isopropyl-[2-(1-methyl-1H-tetrazol-5-yl)-ethyl]-carbamoyl}-phenoxy)-ethyl]-pyridin-4-yl-carbamic acid tert-butyl ester

HRID 1234774Notes

Reaction equation

HRID 1234774 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]([CH2:33][CH2:34][O:35][S:36]([c:37]1[cH:38][cH:39][c:40]([CH3:41])[cH:42][cH:43]1)(=[O:44])=[O:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([CH2:8][CH2:9][c:10]2[n:11][n:12][n:13][n:14]2[CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:19][c:20]([OH:22])[cH:21]1.[H-:23].[Na+:24].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([CH2:8][CH2:9][c:10]2[n:11][n:12][n:13][n:14]2[CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:19][c:20]([O:22][CH2:34][CH2:33][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[c:46]2[cH:47][cH:48][n:49][cH:50][cH:51]2)[cH:21]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 183488353-Chloro-5-hydroxy-N-isopropyl-N-[2-(1-methyl-1H-tetrazol-5-yl)-ethyl]-benzamideHCID 54393691Toluene-4-sulfonic acid 2-(tert-butoxycarbonyl-pyridin-4-yl-amino)-ethyl ester

Product 1

HCID 54506817[2-(3-Chloro-5-{isopropyl-[2-(1-methyl-1H-tetrazol-5-yl)-ethyl]-carbamoyl}-phenoxy)-ethyl]-pyridin-4-yl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-05bbeab0338c4a889d268da53bb2ca44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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