Propionitrile → HCID 75236132, compound

HRID 316533Notes

Reaction equation

HRID 316533 reaction equation
[C:38]([CH2:39][P+:40]([CH3:41])([CH3:42])[CH3:43])#[N:44].[C:54](#[N:55])[CH2:56][CH3:57].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:18][c:19]1[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]2[CH2:26][CH2:27]2)[cH:28][cH:29][c:30]1[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[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:34]1[CH2:33][CH2:32][N:31]([c:30]2[c:19]([Cl:18])[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]3[CH2:26][CH2:27]3)[cH:28][cH:29]2)[CH2:36][CH2:35]1

Participants

7

Reactant 6

HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 58324439HCID 58324439, compoundHCID 583244753-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Product 1

HCID 75236132HCID 75236132, compound

Sources & evidence

ORD record
ord-8d42c9834e4242dcad133c9d5cbff6db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…