Acetate → HCID 59165549, compound

HRID 1572998Notes

Reaction equation

HRID 1572998 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[C:81]([O-:82])(=[O:83])[CH3:84].[C:86]([O-:87])(=[O:88])[CH3:89].[CH2:16]1[CH2:17][O:18][CH2:19][CH2:20][NH:21]1.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:10][cH:11]1.[Cs+:26].[Cs+:27].[Pd+2:85].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[c:2]1([N:21]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 1140TolueneHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 2517421HCID 2517421, compound

Product 1

HCID 59165549HCID 59165549, compound

Sources & evidence

ORD record
ord-086a8f2faedc45bfb8c0d5d41012d070
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…