Hydrochloric Acid → N,3-dimethyl-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 2132644Notes

Reaction equation

HRID 2132644 reaction equation
[C:38]([CH2:39][P+:40]([CH3:41])([CH3:42])[CH3:43])#[N:44].[C:54](#[N:55])[CH2:56][CH3:57].[CH3:20][NH:21][C:22]([c:23]1[cH:24][c:25]([CH3:35])[c:26]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:27][cH:28]1)=[O:36].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[ClH:18].[ClH:19].[I-:37].[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:32]1[CH2:31][CH2:30][N:29]([c:26]2[c:25]([CH3:35])[cH:24][c:23]([C:22]([NH:21][CH3:20])=[O:36])[cH:28][cH:27]2)[CH2:34][CH2:33]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 287495403,N-Dimethyl-4-piperazin-1-yl-benzamideHCID 583244753-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Product 1

HCID 75236123N,3-dimethyl-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-b52163f7430f4d108016d838e823416c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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