Acetic Acid → 4-Chloro-3-(furan-2-ylmethylamino)-5-methylsulfonylbenzoic acid

HRID 1225397Notes

Reaction equation

HRID 1225397 reaction equation
[BH3:22].[CH3:23][N:24]([CH3:25])[CH3:26].[CH3:28][C:29](=[O:30])[OH:31].[CH:1]([c:2]1[cH:3][cH:4][cH:5][o:6]1)=[N:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[c:16]1[Cl:17].[OH2:27]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][o:6]1)[NH:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[c:16]1[Cl:17]

Participants

6

Sources & evidence

ORD record
ord-94d7f6f3ed924bb988c18f3dace05f4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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