1-Butanol → HCID 23036420, compound

HRID 1145889Notes

Reaction equation

HRID 1145889 reaction equation
[CH2:53]([OH:54])[CH2:55][CH2:56][CH3:57].[CH3:46][CH:47]([O:48][CH:49]([CH3:50])[CH3:51])[CH3:52].[Cl:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[c:29]([O:34][CH:35]([CH3:36])[CH3:37])[cH:30][cH:31][cH:32][cH:33]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1.[I-:45].[K+:44].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][N:13]([CH2:24][CH2:25][CH2:26][O:27][c:28]3[c:29]([O:34][CH:35]([CH3:36])[CH3:37])[cH:30][cH:31][cH:32][cH:33]3)[CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 2631-ButanolHCID 813Potassium CationHCID 923Sodium ion2×HCID 7914Diisopropyl EtherHCID 19660Carbonate IonHCID 30165Iodide IonHCID 11208889Bis(4-fluorophenyl)(piperidin-4-yl)methanolHCID 23036322HCID 23036322, compound

Product 1

HCID 23036420HCID 23036420, compound

Sources & evidence

ORD record
ord-523eb213f7b5428ca9ca5ff8b5a06cb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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