Acetate → HCID 135405316, compound

HRID 1224650Notes

Reaction equation

HRID 1224650 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([nH:7]2)[c:8](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:9]2[cH:10][cH:11][c:12]([cH:13][c:14]3[cH:15][cH:16][c:17]([c:18](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:19]4[cH:20][cH:21][c:22]1[n:23]4)[nH:30]3)[n:31]2.[C:102]([O-:103])(=[O:104])[CH3:105].[C:86](=[O:87])([O-:88])[O-:89].[C:97]([O-:98])(=[O:99])[CH3:100].[CH2:92]1[O:93][CH2:94][CH2:95][CH2:96]1.[CH3:107][CH2:108][O:109][C:110](=[O:111])[CH3:112].[CH3:38][NH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cs+:90].[Cs+:91].[PH3:85].[Pd+2:101].[Pd:106].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[O:60][c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[c:2]1([N:39]([CH3:38])[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:3]2[cH:4][cH:5][c:6]([nH:7]2)[c:8](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:9]2[cH:10][cH:11][c:12]([cH:13][c:14]3[cH:15][cH:16][c:17]([c:18](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:19]4[cH:20][cH:21][c:22]1[n:23]4)[nH:30]3)[n:31]2

Participants

12

Reactant 11

HCID 175Acetate2×HCID 7515N-MethylanilineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938PalladiumHCID 24404PhosphineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4285986Bis[2-(diphenylphosphino)phenyl] etherHCID 173154257HCID 173154257, compound

Product 1

HCID 135405316HCID 135405316, compound

Sources & evidence

ORD record
ord-eeeabdf9b9b94613bfb97b4e585f8bfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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