Sodium ion → HCID 178426188, compound

HRID 2321063Notes

Reaction equation

HRID 2321063 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([OH:20])[c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][n:9][c:10]2[cH:11]1.[C:21](#[N:22])[c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1.[C:32](=[O:33])([O-:34])[O-:35].[CH:38]([OH:39])([CH3:40])[CH3:41].[Na+:36].[Na+:37].[Pd:42]([Cl:43])[Cl:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[c:2]1(-[c:26]2[cH:25][cH:24][c:23]([C:21]#[N:22])[cH:28][cH:27]2)[cH:3][cH:4][c:5]2[c:6]([OH:20])[c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][n:9][c:10]2[cH:11]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 3776IsopropanolHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27343264-Cyanophenylboronic acidHCID 178426187HCID 178426187, compound

Product 1

HCID 178426188HCID 178426188, compound

Sources & evidence

ORD record
ord-14017e9d95d441f7b41cf9e68b090e79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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