Acetate → 2-Methyl-2-(4-((2-(2-methylbenzofuran-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide

HRID 102532Notes

Reaction equation

HRID 102532 reaction equation
[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([c:38]2[c:39]([CH3:47])[o:40][c:41]3[c:42]2[cH:43][cH:44][cH:45][cH:46]3)[O:48]1.[CH3:56][C:57](=[O:58])[O-:59].[CH3:60][C:61]#[N:62].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:1][c:2]1[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH2:21])([CH3:22])[CH3:23])[CH2:16][CH2:17]1)[s:10]2.[K+:55].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:63]>>[c:2]1(-[c:38]2[c:39]([CH3:47])[o:40][c:41]3[c:42]2[cH:43][cH:44][cH:45][cH:46]3)[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH2:21])([CH3:22])[CH3:23])[CH2:16][CH2:17]1)[s:10]2

Participants

10

Reactant 9

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 574940122-(4-((2-Chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-methylpropanamideHCID 673417654,4,5,5-Tetramethyl-2-(2-methylbenzofuran-3-yl)-1,3,2-dioxaborolane

Product 1

HCID 596058752-Methyl-2-(4-((2-(2-methylbenzofuran-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide

Sources & evidence

ORD record
ord-43b8b83beefe47d2a3e5e3935df74dde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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