Acetonitrile → HCID 59305375, compound

HRID 2336265Notes

Reaction equation

HRID 2336265 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([C:14]#[CH:15])[cH:11][cH:12][cH:13]1)=[O:16].[CH3:71][C:72]#[N:73].[Cu:28][I:29].[F:17][CH:18]([O:19][c:20]1[cH:21][cH:22][c:23]([I:26])[cH:24][cH:25]1)[F:27].[Pd:30]([Cl:31])[Cl:32].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([C:14]#[C:15][c:23]2[cH:22][cH:21][c:20]([O:19][CH:18]([F:17])[F:27])[cH:25][cH:24]2)[cH:11][cH:12][cH:13]1)=[O:16]

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27370081-(Difluoromethoxy)-4-iodobenzeneHCID 11275982tert-Butyl 3-ethynylphenylcarbamate

Product 1

HCID 59305375HCID 59305375, compound

Sources & evidence

ORD record
ord-8e54e606bb2040c192bbf86743878f65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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