1-Butanol → HCID 58626073, compound

HRID 160030Notes

Reaction equation

HRID 160030 reaction equation
[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[Cl:1][c:2]1[n:3][c:4]([NH:18][c:19]2[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]2)[n:5][c:6](-[c:8]2[cH:9][c:10]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][cH:12][cH:13]2)[cH:7]1>>[c:2]1([N:35]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[n:3][c:4]([NH:18][c:19]2[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]2)[n:5][c:6](-[c:8]2[cH:9][c:10]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][cH:12][cH:13]2)[cH:7]1

Participants

4

Sources & evidence

ORD record
ord-77d5df522e5449b9b4ee3ba342555ed1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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