Isobutyric Acid → 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-[(isobutyryl-methoxy-amino)-methyl]-benzamide

HRID 164313

Reaction equation

HRID 164313 reaction equation
[C:29]([CH:30]([CH3:31])[CH3:32])(=[O:33])[O:34][n:35]1[c:36](=[O:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1.[CH3:46][CH:47]([C:48](=[O:49])[OH:50])[CH3:51].[F:1][c:2]1[c:3]([NH:20][c:21]2[c:22]([F:28])[cH:23][c:24]([I:27])[cH:25][cH:26]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][NH:17][O:18][CH3:19])[c:14]1[F:15]>>[F:1][c:2]1[c:3]([NH:20][c:21]2[c:22]([F:28])[cH:23][c:24]([I:27])[cH:25][cH:26]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][N:17]([O:18][CH3:19])[C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[c:14]1[F:15]

Participants

4

Reactant 3

HCID 6590Isobutyric AcidHCID 115335813,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-(methoxyamino-methyl)-benzamideHCID 670769954-oxo-4H-benzo[d][1,2,3]triazin-3-yl isobutyrate

Product 1

HCID 593480203,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-[(isobutyryl-methoxy-amino)-methyl]-benzamide

Sources & evidence

ORD record
ord-bae820d0a0e44c58840db00be2bef943
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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