Acetate → HCID 57248107, compound

HRID 175467Notes

Reaction equation

HRID 175467 reaction equation
[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH2:61]=[CH:62][C:63]#[N:64].[CH:1]([CH3:2])([CH3:3])[N:4]([CH2:5][CH2:6][CH:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[c:15]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:16][cH:17][c:18]([Br:20])[cH:19]1)[CH:29]([CH3:30])[CH3:31].[O-:71][C:72]([CH3:73])=[O:74].[O-:75][C:76]([CH3:77])=[O:78].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[Pd+2:70].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][c:45]1[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[CH3:60]>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH2:5][CH2:6][CH:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[c:15]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:16][cH:17][c:18]([CH:61]=[CH:62][C:63]#[N:64])[cH:19]1)[CH:29]([CH3:30])[CH3:31]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7855AcrylonitrileHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 129724153-(2-(Benzyloxy)-5-bromophenyl)-N,N-diisopropyl-3-phenylpropan-1-amine

Product 1

HCID 57248107HCID 57248107, compound

Sources & evidence

ORD record
ord-9814cac8862b4deda79d49f20e412b72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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