Carbonate Ion → N-(3-Fluoro-4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl)-N3-(4-fluorophenyl)malonamide

HRID 111156

Reaction equation

HRID 111156 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][C:40]([CH3:41])([C:42](=[O:43])[CH2:44][C:45](=[O:46])[C:47]([CH3:48])([CH3:49])[CH3:50])[CH3:51].[Cl:23][c:24]1[c:25]2[c:26]([n:27][cH:28][n:29]1)[cH:30][cH:31][s:32]2.[Cl:52][Cu:53].[Cs+:37].[Cs+:38].[F:1][c:2]1[cH:3][c:4]([NH:9][C:10]([CH2:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)=[O:22])[cH:5][cH:6][c:7]1[OH:8]>>[F:1][c:2]1[cH:3][c:4]([NH:9][C:10]([CH2:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)=[O:22])[cH:5][cH:6][c:7]1[O:8][c:24]1[c:25]2[c:26]([n:27][cH:28][n:29]1)[cH:30][cH:31][s:32]2

Participants

7

Reactant 6

HCID 19660Carbonate IonHCID 62652Cuprous chlorideHCID 707002,2,6,6-Tetramethyl-3,5-heptanedioneHCID 104967Cesium cation2×HCID 27358214-Chlorothieno[3,2-d]pyrimidineHCID 44203043N1-(3-Fluoro-4-hydroxyphenyl)-N3-(4-fluorophenyl)malonamide

Product 1

HCID 58798989N-(3-Fluoro-4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl)-N3-(4-fluorophenyl)malonamide

Sources & evidence

ORD record
ord-5d977ac3e5d54a3ab92d5311d4cc05fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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