Water → 4-Chloromethyl-5-phenyl-2-(4-carboxy-2-nitrophenyl)-4-isoxazolin-3-one

HRID 2161720Notes

Reaction equation

HRID 2161720 reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][O:38][CH2:39]1.[Cl:6][CH2:7][c:8]1[c:9](=[O:33])[n:10](-[c:19]2[c:20]([N+:30](=[O:31])[O-:32])[cH:21][c:22]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:23][cH:24]2)[o:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[OH2:40].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[Cl:6][CH2:7][c:8]1[c:9](=[O:33])[n:10](-[c:19]2[c:20]([N+:30](=[O:31])[O-:32])[cH:21][c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]2)[o:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1

Participants

5

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 312751,4-DioxaneHCID 14324463HCID 14324463, compound

Product 1

HCID 199825024-Chloromethyl-5-phenyl-2-(4-carboxy-2-nitrophenyl)-4-isoxazolin-3-one

Sources & evidence

ORD record
ord-19b5ef0fefe7422a90caa11f019669c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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