Acetate → HCID 57240054, compound

HRID 1559163Notes

Reaction equation

HRID 1559163 reaction equation
[CH3:13][N:14]([CH3:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([CH:21]=[CH2:22])[cH:23][cH:24]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][cH:11][n:12]1.[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[OH2:68].[Pd+2:59].[c:32]1([CH3:33])[cH:34][cH:35][cH:36][cH:37][c:38]1[P:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53]>>[c:2]1([CH:22]=[CH:21][c:20]2[cH:19][cH:18][c:17]([CH2:16][N:14]([CH3:13])[CH3:15])[cH:24][cH:23]2)[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][cH:11][n:12]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 519956Benzenemethanamine, ar-ethenyl-N,N-dimethyl-HCID 2796614Ethyl chloronicotinate

Product 1

HCID 57240054HCID 57240054, compound

Sources & evidence

ORD record
ord-350aed56ad0143dd949366944d9db2c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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