Bicarbonate Ion → HCID 22321883, compound

HRID 2323984Notes

Reaction equation

HRID 2323984 reaction equation
[Br:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1.[C:37](=[O:38])([OH:39])[O-:40].[CH3:24][CH2:25][CH2:26][CH2:27][N:28]([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36].[Cl:42][CH2:43][Cl:44].[F:15][c:16]1[cH:17][cH:18][c:19]([CH:20]=[CH2:21])[cH:22][cH:23]1.[Na+:41].[OH2:86].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[c:2]1([C:21]#[C:20][c:19]2[cH:18][cH:17][c:16]([F:15])[cH:23][cH:22]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 7622TributylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 678834-FluorostyreneHCID 245494Methyl 2-Bromo-5-nitrobenzoate

Product 1

HCID 22321883HCID 22321883, compound

Sources & evidence

ORD record
ord-9bff9d9e90c14ed6b06ea65bf6ac751f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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