Ethanol → HCID 58962839, compound

HRID 1135529Notes

Reaction equation

HRID 1135529 reaction equation
[CH3:31][CH2:32][OH:33].[F:1][c:2]1[c:3]([NH:4][c:5]2[c:6]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:7][n:8]([CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH3:18])[c:9](=[O:11])[cH:10]2)[cH:24][cH:25][c:26]([I:28])[cH:27]1.[Na+:30].[OH-:29]>>[F:1][c:2]1[c:3]([NH:4][c:5]2[c:6]([C:19](=[O:20])[OH:21])[cH:7][n:8]([CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH3:18])[c:9](=[O:11])[cH:10]2)[cH:24][cH:25][c:26]([I:28])[cH:27]1

Participants

5

Sources & evidence

ORD record
ord-0663a6c8feda4bf193a35bb75739897b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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