Acetate → [2-(2-Hydroxymethyl-phenyl)-6-methoxy-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

HRID 1566600Notes

Reaction equation

HRID 1566600 reaction equation
[C:57](=[O:58])([O-:59])[O-:60].[CH3:20][O:21][c:22]1[cH:23][c:24]2[cH:25][cH:26][c:27]([O:49][S:50]([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56])[c:28]([C:32]([c:33]3[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]4[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]4)[cH:37][cH:38]3)=[O:48])[c:29]2[cH:30][cH:31]1.[CH3:73][O:74][CH2:75][CH2:76][O:77][CH3:78].[Cl:79][CH2:80][Cl:81].[Na+:61].[Na+:62].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[OH:63][B:64]1[O:65][CH2:66][c:67]2[c:68]1[cH:69][cH:70][cH:71][cH:72]2.[Pd+2:82].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:20][O:21][c:22]1[cH:23][c:24]2[cH:25][cH:26][c:27](-[c:68]3[c:67]([CH2:66][OH:65])[cH:72][cH:71][cH:70][cH:69]3)[c:28]([C:32]([c:33]3[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]4[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]4)[cH:37][cH:38]3)=[O:48])[c:29]2[cH:30][cH:31]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4037881-Hydroxy-2,1-benzoxaboroleHCID 11685250Trifluoromethanesulfonic acid 6-methoxy-1-[4-(2-piperidin-1-yl-ethoxy)benzoyl]-naphthalen-2-yl ester

Product 1

HCID 17987067[2-(2-Hydroxymethyl-phenyl)-6-methoxy-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

Sources & evidence

ORD record
ord-812f4228c60f4ed1a11217dad0cb73d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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