Acetate → HCID 178497705, compound

HRID 1228150Notes

Reaction equation

HRID 1228150 reaction equation
[C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])(=[O:17])[NH:18][c:19]1[n:20][c:21]([OH:30])[c:22]2[c:23]([n:24]1)[n:25][cH:26][c:27]([Br:29])[cH:28]2.[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][C:61]#[N:62].[CH:1](=[CH2:2])[c:3]1[cH:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[nH:7]1.[Pd+2:67].[c:31]1([CH3:32])[cH:33][cH:34][cH:35][cH:36][c:37]1[P:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1[CH3:52]>>[CH:1](=[CH:2][c:27]1[cH:26][n:25][c:23]2[c:22]([c:21]([OH:30])[n:20][c:19]([NH:18][C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[n:24]2)[cH:28]1)[c:3]1[cH:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[nH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 18784657Methyl 5-ethenyl-1H-pyrrole-2-carboxylateHCID 178447249HCID 178447249, compound

Product 1

HCID 178497705HCID 178497705, compound

Sources & evidence

ORD record
ord-8f0403fb36da43f08744013fd528b179
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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