Dimethylformamide → 3-(4-(2-(4-(4-Acetylpiperazin-1-yl)phenylamino)-5-fluoropyrimidin-4-yl)piperazin-1-yl)-3-oxopropanenitrile

HRID 125104Notes

Reaction equation

HRID 125104 reaction equation
[C:1](#[N:2])[CH2:3][C:4](=[O:5])[OH:6].[Cl:42][CH2:43][Cl:44].[Cl:7][C:8]([C:9]([Cl:10])=[O:11])=[O:12].[F:13][c:14]1[c:15]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[n:16][c:17]([NH:20][c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][N:30]([C:33]([CH3:34])=[O:35])[CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:18][cH:19]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[C:1](#[N:2])[CH2:3][C:4](=[O:6])[N:39]1[CH2:38][CH2:37][N:36]([c:15]2[c:14]([F:13])[cH:19][n:18][c:17]([NH:20][c:21]3[cH:22][cH:23][c:24]([N:27]4[CH2:28][CH2:29][N:30]([C:33]([CH3:34])=[O:35])[CH2:31][CH2:32]4)[cH:25][cH:26]3)[n:16]2)[CH2:41][CH2:40]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9740Cyanoacetic acidHCID 65578Oxalyl chlorideHCID 444671001-(4-(4-(5-Fluoro-4-(piperazin-1-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

Product 1

HCID 444673163-(4-(2-(4-(4-Acetylpiperazin-1-yl)phenylamino)-5-fluoropyrimidin-4-yl)piperazin-1-yl)-3-oxopropanenitrile

Sources & evidence

ORD record
ord-2afea6eaf1ff4f0abf62b1e19d7fb908
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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