Acetonitrile → HCID 59407851, compound

HRID 2334011Notes

Reaction equation

HRID 2334011 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:11](=[O:12])([O-:13])[O-:14].[CH2:17]([C:18]#[CH:19])[O:20][CH:21]1[O:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[CH3:61][C:62]#[N:63].[CH:27]1([P:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2-[c:41]2[c:42]([CH:43]([CH3:44])[CH3:45])[cH:46][c:47]([CH:48]([CH3:49])[CH3:50])[cH:51][c:52]2[CH:53]([CH3:54])[CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cs+:15].[Cs+:16]>>[c:2]1([C:19]#[C:18][CH2:17][O:20][CH:21]2[O:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:3][c:4]([CH3:10])[c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 98609Tetrahydro-2-(2-propynyloxy)-2H-pyranHCID 104967Cesium cation2×HCID 6083154-Bromo-1-methoxy-2-methylbenzeneHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

Product 1

HCID 59407851HCID 59407851, compound

Sources & evidence

ORD record
ord-56e52cddcb2d4f918e4b494e8555c38d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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