Hydrochloric Acid → 5-(5-Chloro-2-benzoxazolyloxy)-2nitrobenzoic acid

HRID 195055Notes

Reaction equation

HRID 195055 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[CH2:36]([Cl:37])[Cl:38].[CH3:32][S:33]([CH3:34])=[O:35].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([nH:7][c:8](=[O:10])[o:9]2)[cH:11]1.[ClH:31].[F:18][c:19]1[cH:20][cH:21][c:22]([N+:28](=[O:29])[O-:30])[c:23]([C:24](=[O:25])[OH:26])[cH:27]1.[K+:16].[K+:17].[OH2:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([O:10][c:19]3[cH:20][cH:21][c:22]([N+:28](=[O:29])[O-:30])[c:23]([C:24](=[O:25])[OH:26])[cH:27]3)[o:9]2)[cH:11]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 2733ChlorzoxazoneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 27374205-Fluoro-2-nitrobenzoic acid

Product 1

HCID 133614775-(5-Chloro-2-benzoxazolyloxy)-2nitrobenzoic acid

Sources & evidence

ORD record
ord-59db3914c0ce4875b6b87a46b55c041d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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