1-Butanol → HCID 14407071, compound

HRID 2136273Notes

Reaction equation

HRID 2136273 reaction equation
[CH2:47]([OH:48])[CH2:49][CH2:50][CH3:51].[Cl:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[cH:29][c:30]2[c:31]([cH:32][cH:33][c:34](=[O:36])[o:35]2)[cH:37][cH:38]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-:46].[K+:45].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[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[cH:29][c:30]4[c:31]([cH:32][cH:33][c:34](=[O:36])[o:35]4)[cH:37][cH:38]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

8

Reactant 7

HCID 2631-ButanolHCID 813Potassium CationHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 19006662H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-HCID 11208889Bis(4-fluorophenyl)(piperidin-4-yl)methanol

Product 1

HCID 14407071HCID 14407071, compound

Sources & evidence

ORD record
ord-a05b0b520d83400cb637a013d2556a26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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