Acetate → HCID 66700783, compound

HRID 2131962Notes

Reaction equation

HRID 2131962 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:7]1[N:8]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:9][CH2:10][C:11]12[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cl:24][c:25]1[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]1.[Cs+:5].[Cs+:6].[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[Pd+2:86].[cH:33]1[cH:34][cH:35][c:36]([P:37]([c:38]2[cH:39][cH:40][c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[c:47]2-[c:48]2[c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[cH:55][cH:56][c:57]2[P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78]1>>[CH2:7]1[N:8]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:9][CH2:10][C:11]12[CH2:12][CH2:13][N:14]([c:25]1[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]1)[CH2:15][CH2:16]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 121634-ChlorobenzonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 34178604tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

Product 1

HCID 66700783HCID 66700783, compound

Sources & evidence

ORD record
ord-2dff41985afb4680826fa655743aa6a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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