Chloride → N-{3-[5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide

HRID 305077Notes

Reaction equation

HRID 305077 reaction equation
[Al+3:45].[CH3:48][OH:49].[CH3:50][O:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl-:44].[Cl-:46].[Cl-:47].[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:43])[c:12](=[O:42])[c:13]([CH3:41])[c:14]3[n:15](-[c:31]4[cH:32][c:33]([NH:37][C:38]([CH3:39])=[O:40])[cH:34][cH:35][cH:36]4)[c:16](=[O:30])[n:17]([CH2:21][c:22]4[cH:23][cH:24][c:25]([O:26][CH3:27])[cH:28][cH:29]4)[c:18](=[O:20])[c:19]23)[cH:4][cH:5][c:6]([I:8])[cH:7]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:43])[c:12](=[O:42])[c:13]([CH3:41])[c:14]3[n:15](-[c:31]4[cH:32][c:33]([NH:37][C:38]([CH3:39])=[O:40])[cH:34][cH:35][cH:36]4)[c:16](=[O:30])[nH:17][c:18](=[O:20])[c:19]23)[cH:4][cH:5][c:6]([I:8])[cH:7]1

Participants

6

Reactant 5

HCID 312Chloride3×HCID 887MethanolHCID 7519AnisoleHCID 104727Aluminum CationHCID 59717341N-{3-[5-(2-fluoro-4-iodophenylamino)-3-(4-methoxybenzyl)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide

Product 1

HCID 59717419N-{3-[5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide

Sources & evidence

ORD record
ord-21f82f0085aa4cde87bcaea329045d2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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