Acetate → HCID 17968234, compound

HRID 307944Notes

Reaction equation

HRID 307944 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[C:39]([P:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1-[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)([CH3:57])([CH3:58])[CH3:59].[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][c:9]3[c:10]([n:11][c:12]([C:15]#[N:16])[n:13][cH:14]3)[n:17]2[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:24][cH:25]1.[Cs+:37].[Cs+:38].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[Pd+2:67]>>[c:2]1([N:30]2[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]2)[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][c:9]3[c:10]([n:11][c:12]([C:15]#[N:16])[n:13][cH:14]3)[n:17]2[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:24][cH:25]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 531671-MethylpiperazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 44444199HCID 44444199, compound

Product 1

HCID 17968234HCID 17968234, compound

Sources & evidence

ORD record
ord-dd15b008786442018023638fd087d3e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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