Acetonitrile → HCID 178436424, compound

HRID 696897Notes

Reaction equation

HRID 696897 reaction equation
[CH3:39][C:40]#[N:41].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11].[NH2:14][C:15]1([CH3:29])[CH2:16][CH2:17][N:18]([c:21]2[n:22][cH:23][cH:24][c:25]([C:27]#[N:28])[cH:26]2)[CH2:19][CH2:20]1>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11])[NH:14][C:15]1([CH3:29])[CH2:16][CH2:17][N:18]([c:21]2[n:22][cH:23][cH:24][c:25]([C:27]#[N:28])[cH:26]2)[CH2:19][CH2:20]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 69455593HCID 69455593, compoundHCID 714395991-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

Product 1

HCID 178436424HCID 178436424, compound

Sources & evidence

ORD record
ord-bb2f76ad0cbd49ecafaf6566faf62d22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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