Acetate → HCID 18549632, compound

HRID 688209Notes

Reaction equation

HRID 688209 reaction equation
[C:60]([O-:61])([CH3:62])([CH3:63])[CH3:64].[C:83]([O-:84])(=[O:85])[CH3:86].[C:88]([O-:89])(=[O:90])[CH3:91].[CH2:66]1[O:67][c:68]2[cH:69][c:70]([NH2:71])[cH:72][cH:73][c:74]2[O:75]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([I:13])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Cl:93][CH2:94][Cl:95].[K+:65].[OH2:92].[Pd+2:87].[c:14]1([P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:27][cH:28][cH:29][cH:30]3)[c:31]2-[c:32]2[c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[cH:39][cH:40][c:41]2[P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:71][c:70]2[cH:69][c:68]3[c:74]([cH:73][cH:72]2)[O:75][CH2:66][O:67]3)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 843101,3-Benzodioxol-5-amineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2981335-Iodo-1,2,3-trimethoxybenzeneHCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olate

Product 1

HCID 18549632HCID 18549632, compound

Sources & evidence

ORD record
ord-c41151291c4045fa8481a39cb42bbee2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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