Acetonitrile → HCID 67495305, compound

HRID 2317044Notes

Reaction equation

HRID 2317044 reaction equation
[CH3:25][N:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:41][C:42]#[N:43].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][N:14]([c:17]3[n:18][cH:19][cH:20][c:21]([C:23]#[N:24])[n:22]3)[CH2:15][CH2:16]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1>>[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][N:14]([c:17]3[n:18][cH:19][cH:20][c:21]([C:23]#[N:24])[n:22]3)[CH2:15][CH2:16]2)[cH:4][cH:5][c:6]([N:29]2[CH2:28][CH2:27][N:26]([CH3:25])[CH2:31][CH2:30]2)[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 67495348HCID 67495348, compound

Product 1

HCID 67495305HCID 67495305, compound

Sources & evidence

ORD record
ord-ab1d3ff6f9ae407a8e6e7f032ae1cebe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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