Hydrochloric Acid → N-cyclopropyl-3-methyl-4-[4-[(9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]benzamide

HRID 288816Notes

Reaction equation

HRID 288816 reaction equation
[C:40]([CH2:41][P+:42]([CH3:43])([CH3:44])[CH3:45])#[N:46].[C:56](#[N:57])[CH2:58][CH3:59].[CH:20]1([NH:23][C:24]([c:25]2[cH:26][c:27]([CH3:37])[c:28]([N:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[cH:29][cH:30]2)=[O:38])[CH2:21][CH2:22]1.[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[ClH:18].[ClH:19].[I-:39].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][CH2:15][CH2:14][CH2:13]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][CH2:15][CH2:14][CH2:13]1)[N:34]1[CH2:33][CH2:32][N:31]([c:28]2[c:27]([CH3:37])[cH:26][c:25]([C:24]([NH:23][CH:20]3[CH2:21][CH2:22]3)=[O:38])[cH:30][cH:29]2)[CH2:36][CH2:35]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 28749406HCID 28749406, compoundHCID 583244753-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Product 1

HCID 75236125N-cyclopropyl-3-methyl-4-[4-[(9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]benzamide

Sources & evidence

ORD record
ord-ed441414f52844ae9d0f99e5587abc38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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