Acetate → HCID 68866633, compound

HRID 1129392Notes

Reaction equation

HRID 1129392 reaction equation
[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH2:9][C:10]([CH3:11])([CH3:12])[CH3:13])[n:7]1.[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[Pd+2:51].[c:17]1([C:23]#[CH:24])[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1([C:24]#[C:23][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH2:9][C:10]([CH3:11])([CH3:12])[CH3:13])[n:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 611678716-Chloro-N-(2,2-dimethylpropyl)-3-nitro-2-pyridinamine

Product 1

HCID 68866633HCID 68866633, compound

Sources & evidence

ORD record
ord-985461135def43ba813fcafb05786839
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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