Ethanol → 1-Benzyloxy-2-(4-fluorophenyl)-4-ethyl-5-[(3-cyanopropyl)oxy]-benzene

HRID 1215031Notes

Reaction equation

HRID 1215031 reaction equation
[BH:1]([OH:2])[OH:3].[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][c:19]1[c:20]([Br:33])[cH:21][c:22]([CH2:31][CH3:32])[c:23]([O:25][CH2:26][CH2:27][CH2:28][C:29]#[N:30])[cH:24]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:47][CH2:48][OH:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[F:4][c:5]1[cH:6][cH:7][c:8](-[c:20]2[c:19]([O:18][CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:24][c:23]([O:25][CH2:26][CH2:27][CH2:28][C:29]#[N:30])[c:22]([CH2:31][CH3:32])[cH:21]2)[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 10008FluorobenzeneHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 23501857HCID 23501857, compound

Product 1

HCID 235018421-Benzyloxy-2-(4-fluorophenyl)-4-ethyl-5-[(3-cyanopropyl)oxy]-benzene

Sources & evidence

ORD record
ord-9166ac8ce09841b1a8ac0daf09ac5f9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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