Acetate → N-Phenyl-3-(3,4,8,9-tetrahydro-6-methoxy-3,3,8,8-tetramethylfuro[2,3-h]isoquinolin-1-yl)benzenamine

HRID 292331Notes

Reaction equation

HRID 292331 reaction equation
[Br:52][c:53]1[cH:54][c:55]([C:59]2=[N:60][C:61]([CH3:76])([CH3:77])[CH2:62][c:63]3[cH:64][c:65]([O:74][CH3:75])[c:66]4[c:67]([c:68]32)[CH2:69][C:70]([CH3:72])([CH3:73])[O:71]4)[cH:56][cH:57][cH:58]1.[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Ca+2:1].[NH2:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O-:2][C:3](=[O:4])[O-:5].[O-:93][C:94]([CH3:95])=[O:96].[O-:97][C:98]([CH3:99])=[O:100].[OH2:101].[Pd+2:92].[c:6]1([P:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[c:23]2-[c:24]2[c:25]3[c:26]([cH:27][cH:28][cH:29][cH:30]3)[cH:31][cH:32][c:33]2[P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[c:53]1([NH:78][c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:54][c:55]([C:59]2=[N:60][C:61]([CH3:76])([CH3:77])[CH2:62][c:63]3[cH:64][c:65]([O:74][CH3:75])[c:66]4[c:67]([c:68]32)[CH2:69][C:70]([CH3:72])([CH3:73])[O:71]4)[cH:56][cH:57][cH:58]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 271Calcium CationHCID 962WaterHCID 1140TolueneHCID 6115AnilineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 223437961-(3-Bromophenyl)-3,4,8,9-tetrahydro-6-methoxy-3,3,8,8-tetramethylfuro[2,3-h]isoquinoline

Product 1

HCID 22344026N-Phenyl-3-(3,4,8,9-tetrahydro-6-methoxy-3,3,8,8-tetramethylfuro[2,3-h]isoquinolin-1-yl)benzenamine

Sources & evidence

ORD record
ord-7b00205c26c94822b5edb7b561270207
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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