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

HRID 1149229Notes

Reaction equation

HRID 1149229 reaction equation
[C:30]([CH3:31])(=[O:32])[O:33][n:34]1[c:35](=[O:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1.[CH2:1]([CH3:2])[O:3][NH:4][CH2:5][c:6]1[c:7]([F:29])[c:8]([F:28])[c:9]([NH:19][c:20]2[c:21]([F:27])[cH:22][c:23]([I:26])[cH:24][cH:25]2)[c:10]([C:11](=[O:12])[NH:13][O:14][CH2:15][CH2:16][OH:17])[cH:18]1.[CH3:45][C:46](=[O:47])[OH:48]>>[CH2:1]([CH3:2])[O:3][N:4]([CH2:5][c:6]1[c:7]([F:29])[c:8]([F:28])[c:9]([NH:19][c:20]2[c:21]([F:27])[cH:22][c:23]([I:26])[cH:24][cH:25]2)[c:10]([C:11](=[O:12])[NH:13][O:14][CH2:15][CH2:16][OH:17])[cH:18]1)[C:30]([CH3:31])=[O:32]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 3273574-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetateHCID 116780885-(ethoxyamino-methyl)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide

Product 1

HCID 115994325-[(acetyl-ethoxy-amino)-methyl]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide

Sources & evidence

ORD record
ord-8454344b5c5c4c7ebf26c8df97fde92c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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