Sodium ion → HCID 67104635, compound

HRID 1239848Notes

Reaction equation

HRID 1239848 reaction equation
[Br:18][c:19]1[cH:20][c:21]2[cH:22][cH:23][c:24]([CH2:29][CH2:30][OH:31])[cH:25][c:26]2[cH:27][cH:28]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]2)[O:17]1.[CH:63]([OH:64])([CH3:65])[CH3:66].[Na+:36].[Na+:37].[OH2:67].[Pd:68]([Cl:69])[Cl:70].[c:38]1(-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][c:49]1[P:50]([CH:51]1[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1)[CH:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:9]1(-[c:19]2[cH:20][c:21]3[cH:22][cH:23][c:24]([CH2:29][CH2:30][OH:31])[cH:25][c:26]3[cH:27][cH:28]2)[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 3776IsopropanolHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 164142165-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrileHCID 251961662-(6-Bromonaphthalen-2-yl)ethan-1-ol

Product 1

HCID 67104635HCID 67104635, compound

Sources & evidence

ORD record
ord-050013d7479548c0b36129b879b69ae0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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