Propionitrile → HCID 75236107, compound

HRID 675961

Reaction equation

HRID 675961 reaction equation
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:49](#[N:50])[CH2:51][CH3:52].[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[I-:18].[N:35]1([c:41]2[cH:42][cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]2)[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[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][S: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][S:15][CH2:14][CH2:13]1)[N:38]1[CH2:37][CH2:36][N:35]([c:41]2[cH:42][cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]2)[CH2:40][CH2:39]1

Participants

7

Reactant 6

HCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 27339954-(Piperazin-1-yl)benzonitrileHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 583244013-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one

Product 1

HCID 75236107HCID 75236107, compound

Sources & evidence

ORD record
ord-592f4e6b7670459f947cf6fb581819de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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