Sodium ion → USRE48711, Example 95

HRID 98285Notes

Reaction equation

HRID 98285 reaction equation
[CH:33]1([OH:37])[CH2:34][CH2:35][CH2:36]1.[CH:3]1([n:6]2[c:7](-[c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][c:24](-[c:26]5[cH:27][n:28][c:29]([F:32])[cH:30][cH:31]5)[cH:25]4)[cH:14][cH:15][cH:16]3)[n:8][n:9][cH:10]2)[CH2:4][CH2:5]1.[H-:1].[Na+:2]>>[CH:3]1([n:6]2[c:7](-[c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][c:24](-[c:26]5[cH:27][n:28][c:29]([O:37][CH:33]6[CH2:34][CH2:35][CH2:36]6)[cH:30][cH:31]5)[cH:25]4)[cH:14][cH:15][cH:16]3)[n:8][n:9][cH:10]2)[CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 76218CyclobutanolHCID 166653HydrideHCID 58102944USRE48711, Example 93

Product 1

HCID 49868839USRE48711, Example 95

Sources & evidence

ORD record
ord-f209a160250d45a6943021d3a6381db7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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