Benzonitrile → Diphenylacetylene

HRID 1230200Notes

Reaction equation

HRID 1230200 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:22][N:23]([CH3:24])[CH2:25][CH2:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[N:14]#[C:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[c:1]1([C:7]#[CH:8])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]#[C:8][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 7505BenzonitrileHCID 8028TetrahydrofuranHCID 10821PhenylacetyleneHCID 12388TridecaneHCID 66074N,N,N',N'-TetramethyltetramethylenediamineHCID 178418339Butyllithium

Product 1

HCID 10390Diphenylacetylene

Sources & evidence

ORD record
ord-84ea263343a24cffa9a5bb5991d8f5ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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