Ethylene Glycol → 5-Bromo-2-(4-iodophenyl)-7-(2-methyl-1,3-dioxolan-2-yl)-1,3-benzoxazole

HRID 167745Notes

Reaction equation

HRID 167745 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:18]([CH3:19])=[O:20])[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]3)[o:9]2)[cH:17]1.[CH3:25][c:26]1[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[OH:21][CH2:22][CH2:23][OH:24].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[Br:1][c:2]1[cH:3][c:4]([C:18]2([CH3:19])[O:20][CH2:23][CH2:22][O:21]2)[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]3)[o:9]2)[cH:17]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 241BenzeneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 671407541-[5-Bromo-2-(4-iodophenyl)-1,3-benzoxazol-7-yl]ethanone

Product 1

HCID 671407565-Bromo-2-(4-iodophenyl)-7-(2-methyl-1,3-dioxolan-2-yl)-1,3-benzoxazole

Sources & evidence

ORD record
ord-2ec8bbc6aaa344bfb5e1a8ea77715f03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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