Acetate → HCID 68525258, compound

HRID 2319153Notes

Reaction equation

HRID 2319153 reaction equation
[C:75](=[O:76])([O-:77])[O-:78].[C:88]([O-:89])(=[O:90])[CH3:91].[C:93]([O-:94])(=[O:95])[CH3:96].[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][O:14][CH3:15])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[Cs+:79].[Cs+:80].[OH2:97].[Pd+2:92].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[c:2]1([N:26]2[CH2:25][CH2:24][N:23]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:28][CH2:27]2)[cH:3][cH:4][c:5]([O:12][CH2:13][O:14][CH3:15])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 759941-BenzylpiperazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 20827868HCID 20827868, compound

Product 1

HCID 68525258HCID 68525258, compound

Sources & evidence

ORD record
ord-f35130df6d254171aba03a50c3d1f62b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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