Sodium ion → HCID 53238301, compound

HRID 91569Notes

Reaction equation

HRID 91569 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][O:7][c:8]1[cH:9][c:10](-[n:34]2[n:35][cH:36][n:37][cH:38]2)[c:11](-[c:14]2[n:15][c:16]3[c:17]([n:18]2[C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25](-[c:27]2[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]2)[cH:26]3)[cH:12][cH:13]1)([CH3:39])[CH3:40])=[O:41].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[Na+:43].[OH-:42].[OH2:50]>>[O:3]=[C:4]([C:5]([CH2:6][O:7][c:8]1[cH:9][c:10](-[n:34]2[n:35][cH:36][n:37][cH:38]2)[c:11](-[c:14]2[n:15][c:16]3[c:17]([n:18]2[C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25](-[c:27]2[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]2)[cH:26]3)[cH:12][cH:13]1)([CH3:39])[CH3:40])[OH:41]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 532383003-{4-[5-(2-Amino-pyrimidin-5-yl)-1-tert-butyl-1H-benzoimidazol-2-yl]-3-[1,2,4]triazol-1-yl-phenoxy}-2,2-dimethyl-propionic acid ethyl ester

Product 1

HCID 53238301HCID 53238301, compound

Sources & evidence

ORD record
ord-01cdabe30c4947429ea529ea8446b6d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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