Sodium ion → 2-[4-(6-Chloropyridin-3-yl)-3-methoxyphenyl]-1,3-benzoxazole

HRID 166233Notes

Reaction equation

HRID 166233 reaction equation
[Br:1][c:2]1[n:3][c:4](-[c:8]2[c:9]([O:23][CH3:24])[cH:10][c:11](-[c:14]3[o:15][c:16]4[c:17]([n:18]3)[cH:19][cH:20][cH:21][cH:22]4)[cH:12][cH:13]2)[cH:5][cH:6][cH:7]1.[Br:51][c:52]1[cH:53][cH:54][c:55]([Cl:58])[n:56][cH:57]1.[C:59](=[O:60])([O-:61])[O-:62].[CH3:25][O:26][c:27]1[cH:28][c:29](-[c:30]2[o:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[n:38]2)[cH:39][cH:40][c:41]1[B:42]1[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]1.[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[Na+:63].[Na+:64].[OH2:71]>>[c:8]1(-[c:52]2[cH:53][cH:54][c:55]([Cl:58])[n:56][cH:57]2)[c:9]([O:23][CH3:24])[cH:10][c:11](-[c:14]2[o:15][c:16]3[c:17]([n:18]2)[cH:19][cH:20][cH:21][cH:22]3)[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27344145-Bromo-2-chloropyridineHCID 103093892-[4-(6-Bromopyridin-2-yl)-3-methoxyphenyl]-1,3-benzoxazoleHCID 219909862-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole

Product 1

HCID 102866712-[4-(6-Chloropyridin-3-yl)-3-methoxyphenyl]-1,3-benzoxazole

Sources & evidence

ORD record
ord-1a1c8a7d208346caa40363bb25e9f966
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…