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

HRID 686929Notes

Reaction equation

HRID 686929 reaction equation
[C:37]([CH2:38][P+:39]([CH3:40])([CH3:41])[CH3:42])#[N:43].[C:53](#[N:54])[CH2:55][CH3:56].[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH3:19][NH:20][C:21]([c:22]1[cH:23][c:24]([CH3:34])[c:25]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:26][cH:27]1)=[O:35].[ClH:17].[ClH:18].[I-:36].[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[c:24]([CH3:34])[cH:23][c:22]([C:21]([NH:20][CH3:19])=[O:35])[cH:27][cH:26]2)[CH2:33][CH2:32]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 287495403,N-Dimethyl-4-piperazin-1-yl-benzamideHCID 509163263-(hydroxymethyl)pyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-6(5H)-one

Product 1

HCID 50916507N,3-dimethyl-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-38b3ead71850480ea027d438909d5e06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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