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

HRID 2311615Notes

Reaction equation

HRID 2311615 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].[CH:17]1([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([N:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[cH:26][cH:27]2)=[O:34])[CH2:18][CH2:19]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:31]1[CH2:30][CH2:29][N:28]([c:25]2[cH:24][cH:23][c:22]([C:21]([NH:20][CH:17]3[CH2:18][CH2:19]3)=[O:34])[cH:27][cH:26]2)[CH2:33][CH2:32]1

Participants

7

Reactant 6

HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 28749052Benzamide, N-cyclopropyl-4-(1-piperazinyl)-HCID 509163263-(hydroxymethyl)pyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-6(5H)-one

Product 1

HCID 50916504N-cyclopropyl-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-239171982a3043589adb02900c58d17f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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