Methanol → N-{3-[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-ylamino]phenyl}methanesulfonamide

HRID 108879

Reaction equation

HRID 108879 reaction equation
[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[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:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:39][cH:40][cH:41]1.[n:53]1[c:54]([CH3:55])[cH:56][cH:57][cH:58][c:59]1[CH3:60]>>[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:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:39][cH:40][cH:41]2)[c:12]([CH3:17])[c:13](=[O:16])[n:14]3[CH3:15])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 887MethanolHCID 79372,6-LutidineHCID 31374DimethylacetamideHCID 2734262N-(3-Aminophenyl)methanesulfamideHCID 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 59717182N-{3-[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-ylamino]phenyl}methanesulfonamide

Sources & evidence

ORD record
ord-3ef0c2bac2ad455ba2f7072324cdb451
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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