Sodium ion → HCID 70654684, compound

HRID 304848Notes

Reaction equation

HRID 304848 reaction equation
[CH3:37][C:38]#[N:39].[CH:9]1([NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([B:22]3[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]3)[cH:20][cH:21]2)[CH2:10][CH2:11]1.[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][cH:7]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:81].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:19]2[cH:18][cH:17][c:16]([S:13]([NH:12][CH:9]3[CH2:10][CH2:11]3)(=[O:14])=[O:15])[cH:21][cH:20]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 706222-Amino-5-bromopyridineHCID 16414186N-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

Product 1

HCID 70654684HCID 70654684, compound

Sources & evidence

ORD record
ord-6e3ca20bdbb64fa7a8602ecc46722327
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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