Acetate → HCID 67343884, compound

HRID 2155651Notes

Reaction equation

HRID 2155651 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[C:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)(=[O:54])[NH:55][c:56]1[c:57]([C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[cH:65][cH:66][c:67]([Br:69])[cH:68]1.[C:70](=[O:71])([O-:72])[OH:73].[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[CH:18]1([P:19]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[c:33]([O:34][CH3:35])[cH:36][cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[Cs+:16].[Cs+:17].[F:1][c:2]1[c:3]([B:9]([OH:10])[OH:11])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Na+:74].[Pd+2:79]>>[F:1][c:2]1[c:3](-[c:67]2[cH:66][cH:65][c:57]([C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[c:56]([NH:55][C:47]([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)=[O:54])[cH:68]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343362,6-Difluorophenylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 67343005Tert-butyl 2-(benzamido)-4-bromobenzoate

Product 1

HCID 67343884HCID 67343884, compound

Sources & evidence

ORD record
ord-d6143b0d6d36441389a9776127230df7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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