Chloride → 3-Ethoxybenzo[D]isoxazol-6-OL

HRID 1137485Notes

Reaction equation

HRID 1137485 reaction equation
[B:1]([Br:2])([Br:3])[Br:4].[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH2:14]([CH3:15])[O:16][c:17]1[n:18][o:19][c:20]2[c:21]1[cH:22][cH:23][c:24]([O:26][CH3:27])[cH:25]2.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl-:33].[Cl:35][CH2:36][Cl:37].[Na+:32].[Na+:34].[O-:28][C:29]([OH:30])=[O:31].[OH2:38].[o:5]1[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[cH:12][n:13]1>>[CH2:14]([CH3:15])[O:16][c:17]1[n:18][o:19][c:20]2[c:21]1[cH:22][cH:23][c:24]([OH:26])[cH:25]2

Participants

11

Reactant 10

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 25134Boron tribromideHCID 710731,2-BenzisoxazoleHCID 210778053-Ethoxy-6-methoxybenzo[D]isoxazole

Product 1

HCID 1358487453-Ethoxybenzo[D]isoxazol-6-OL

Sources & evidence

ORD record
ord-ffd89e89e44647a8944e7c21a09ee006
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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