Acetate → HCID 67493865, compound

HRID 302284Notes

Reaction equation

HRID 302284 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:14][C:15]([CH3:16])([O-:17])[CH3:18].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:34]1([P:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2-[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[N:54]([CH3:55])[CH3:56])[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[Cl:20][c:21]1[cH:22][cH:23][c:24]([C:27]23[CH2:28][CH2:29][N:30]([CH2:31][CH2:32]2)[CH2:33]3)[cH:25][n:26]1.[Cl:75][CH2:76][Cl:77].[Na+:19].[Na+:62].[Na+:63].[O-:64][C:65](=[O:66])[O-:67].[O-:79][C:80]([CH3:81])=[O:82].[O-:83][C:84]([CH3:85])=[O:86].[Pd+2:78]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([c:21]2[cH:22][cH:23][c:24]([C:27]34[CH2:28][CH2:29][N:30]([CH2:31][CH2:32]3)[CH2:33]4)[cH:25][n:26]2)[CH2:12][CH2:13]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion3×HCID 1140TolueneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 759941-BenzylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 45749132-Methylpropan-2-olateHCID 59187099HCID 59187099, compound

Product 1

HCID 67493865HCID 67493865, compound

Sources & evidence

ORD record
ord-bbb7282b28ec487db1773d9d7a5ff02e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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