Acetate → HCID 178496952, compound

HRID 287743Notes

Reaction equation

HRID 287743 reaction equation
[B-:30]([F:31])([F:32])([F:33])[F:34].[Br:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([C:26](=[O:27])[O:28][CH3:29])[c:10]([C:22](=[O:23])[O:24][CH3:25])[cH:11][c:12]3[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:7]1.[C:35]([PH+:36]([C:37]([CH3:38])([CH3:39])[CH3:40])[C:41]([CH3:42])([CH3:43])[CH3:44])([CH3:45])([CH3:46])[CH3:47].[C:48]([CH3:49])([CH3:50])([CH3:51])[Si:52]([O:53][CH:54]1[CH2:55][CH2:56][NH:57][c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]21)([CH3:64])[CH3:65].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:66][C:67]([CH3:68])([O-:69])[CH3:70].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Cl-:72].[NH4+:73].[Na+:71].[OH2:89].[Pd+2:78]>>[c:2]1([N:57]2[CH2:56][CH2:55][CH:54]([O:53][Si:52]([C:48]([CH3:49])([CH3:50])[CH3:51])([CH3:64])[CH3:65])[c:63]3[c:58]2[cH:59][cH:60][cH:61][cH:62]3)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([C:26](=[O:27])[O:28][CH3:29])[c:10]([C:22](=[O:23])[O:24][CH3:25])[cH:11][c:12]3[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:7]1

Participants

14

Reactant 13

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4060964Tri-t-butylphosphoniumHCID 45749132-Methylpropan-2-olateHCID 220073291-(2-Bromo-4-pyridyl)-2,3-bis(methoxycarbonyl)-6,7-dimethoxynaphthaleneHCID 67304326Tert-butyl-dimethyl-(1,2,3,4-tetrahydroquinolin-4-yloxy)silane

Product 1

HCID 178496952HCID 178496952, compound

Sources & evidence

ORD record
ord-aae2b8f4a64141389a9a8cc72a1d2868
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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