Glyoxylic Acid → 2-(5-Carbamoyl-2,4-difluorophenylamino)-2-(3,4-dimethoxyphenyl)acetic acid

HRID 94469

Reaction equation

HRID 94469 reaction equation
[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([NH:11][CH:12]([C:13](=[O:14])[OH:15])[c:16]2[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[cH:7][cH:8][c:9]1[F:10].[C:52]([OH:53])(=[O:54])[CH:55]=[O:56].[CH3:38][O:39][c:40]1[cH:41][c:42]([B:43]([OH:44])[OH:45])[cH:46][cH:47][c:48]1[O:49][CH3:50].[NH2:26][c:27]1[cH:28][c:29]([C:34]([NH2:35])=[O:37])[c:30]([F:31])[cH:32][c:33]1[F:36].[OH2:51]>>[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([NH:11][CH:12]([C:13](=[O:14])[OH:15])[c:16]2[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:7]([F:36])[cH:8][c:9]1[F:10]

Participants

6

Reactant 5

HCID 760Glyoxylic AcidHCID 962WaterHCID 27347023,4-Dimethoxyphenylboronic acidHCID 256582395-Amino-2,4-difluorobenzamideHCID 594793922-(3-Carbamoyl-4-fluorophenylamino)-2-(3,4-dimethoxyphenyl)acetic acid

Product 1

HCID 594794102-(5-Carbamoyl-2,4-difluorophenylamino)-2-(3,4-dimethoxyphenyl)acetic acid

Sources & evidence

ORD record
ord-55d880bfa9d445a6aee23243f6d788f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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