Methanol → N-[3-[[3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-1,2,3,4,7,8-hexahydro-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide

HRID 93152

Reaction equation

HRID 93152 reaction equation
[CH3:46][N:47]([CH3:48])[C:49](=[O:50])[CH3:51].[CH3:61][OH:62].[CH:1]1([n:4]2[c:5](=[O:34])[n:6](-[c:26]3[c:27]([F:33])[cH:28][c:29]([I:32])[cH:30][cH:31]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[c:12]([CH3:17])[c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1.[NH2:35][c:36]1[cH:37][c:38]([NH:39][C:40]([CH3:41])=[O:42])[cH:43][cH:44][cH:45]1.[OH2:60].[n:52]1[c:53]([CH3:54])[cH:55][cH:56][cH:57][c:58]1[CH3:59]>>[CH:1]1([n:4]2[c:5](=[O:34])[n:6](-[c:26]3[c:27]([F:33])[cH:28][c:29]([I:32])[cH:30][cH:31]3)[c:7]3[c:8]([c:9]2=[O:10])[c:11]([NH:35][c:36]2[cH:37][c:38]([NH:39][C:40]([CH3:41])=[O:42])[cH:43][cH:44][cH:45]2)[c:12]([CH3:17])[c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 7604m-AminoacetanilideHCID 79372,6-LutidineHCID 31374DimethylacetamideHCID 59717263Trifluoromethanesulfonic acid 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydro-pyrido[2,3-d]pyrimidin-5-yl ester

Product 1

HCID 59717354N-[3-[[3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-1,2,3,4,7,8-hexahydro-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide

Sources & evidence

ORD record
ord-6b5d4f7cf8514717b3a783844f939477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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