Bromide ion → HCID 59418747, compound

HRID 697874Notes

Reaction equation

HRID 697874 reaction equation
[Br-:51].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][c:28]1[c:29]([C:35](=[O:36])[O:37][CH3:38])[n:30][c:31]([Br:34])[cH:32][cH:33]1.[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[NH:16][CH2:15][CH2:14][CH2:13]3)[O:19]1.[CH3:52][CH2:53][CH2:54][CH2:55][N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68].[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[OH2:110].[Pd:69]([Cl:70])[Cl:71].[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[c:9]1(-[c:31]2[n:30][c:29]([C:35](=[O:36])[O:37][CH3:38])[c:28]([O:27][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:33][cH:32]2)[cH:10][cH:11][c:12]2[c:17]([cH:18]1)[NH:16][CH2:15][CH2:14][CH2:13]2

Participants

11

Reactant 10

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 962WaterHCID 11776Triphenylphosphine2×HCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 59418684Methyl 3-(benzyloxy)-6-bromopicolinateHCID 594187157-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoline

Product 1

HCID 59418747HCID 59418747, compound

Sources & evidence

ORD record
ord-77f4f9dfc85c4e4191a440fd6e2c3e29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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