Glyoxylic Acid → 2-(5-Carbamoyl-2-fluorophenylamino)-2-(3-ethyl-4-fluorophenyl)acetic acid

HRID 91820

Reaction equation

HRID 91820 reaction equation
[C:1]([c:2]1[cH:3][c:4]([NH:5][CH:11]([c:6]2[cH:7][cH:8][c:9]([O:10][CH3:15])[c:16]([O:17][CH3:18])[cH:19]2)[C:12](=[O:13])[OH:14])[cH:20][cH:21][cH:22]1)(=[O:23])[NH2:24].[C:49]([OH:50])(=[O:51])[CH:52]=[O:53].[CH2:36]([CH3:37])[c:38]1[cH:39][c:40]([B:45]([OH:46])[OH:47])[cH:41][cH:42][c:43]1[F:44].[NH2:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33][c:34]1[F:35].[OH2:48]>>[CH:11]([C:12](=[O:13])[OH:14])([NH:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33][c:34]1[F:35])[c:40]1[cH:39][c:38]([CH2:36][CH3:37])[c:43]([F:44])[cH:42][cH:41]1

Participants

6

Reactant 5

HCID 760Glyoxylic AcidHCID 962WaterHCID 167821003-Amino-4-fluorobenzamideHCID 594794353-Ethyl-4-fluorophenylboronic acidHCID 598380342-(3-Carbamoylphenylamino)-2-(3,4-dimethoxyphenyl)acetic acid

Product 1

HCID 594794582-(5-Carbamoyl-2-fluorophenylamino)-2-(3-ethyl-4-fluorophenyl)acetic acid

Sources & evidence

ORD record
ord-aa12d3368e404d538c3bd951fcdd1309
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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