Propionitrile → 3-chloro-N-ethyl-4-(4-((6-oxo-5,6-dihydropyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-3-yl)methyl)piperazin-1-yl)benzamide

HRID 693280Notes

Reaction equation

HRID 693280 reaction equation
[C:36]([CH2:37][P+:38]([CH3:39])([CH3:40])[CH3:41])#[N:42].[C:52](#[N:53])[CH2:54][CH3:55].[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[Cl:17][c:18]1[cH:19][c:20]([C:21](=[O:22])[NH:23][CH2:24][CH3:25])[cH:26][cH:27][c:28]1[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[I-:35].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([c:7]3[n:8]([c:9](=[O:11])[nH:10]2)[cH:12][cH:13][cH:14]3)[n:15][cH:16]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:6]([c:7]3[n:8]([c:9](=[O:11])[nH:10]2)[cH:12][cH:13][cH:14]3)[n:15][cH:16]1)[N:32]1[CH2:31][CH2:30][N:29]([c:28]2[c:18]([Cl:17])[cH:19][c:20]([C:21](=[O:22])[NH:23][CH2:24][CH3:25])[cH:26][cH:27]2)[CH2:34][CH2:33]1

Participants

7

Reactant 6

HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 509163263-(hydroxymethyl)pyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-6(5H)-oneHCID 583244573-Chloro-N-ethyl-4-(piperazin-1-yl)benzamide

Product 1

HCID 509165063-chloro-N-ethyl-4-(4-((6-oxo-5,6-dihydropyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-3-yl)methyl)piperazin-1-yl)benzamide

Sources & evidence

ORD record
ord-415870dacbbf4cf6a10b29e94405d4ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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