Acetate → HCID 57731610, compound

HRID 1148721Notes

Reaction equation

HRID 1148721 reaction equation
[C:79](=[O:80])([O-:81])[O-:82].[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:37][N:38]([C:39](=[O:40])[c:41]1[c:42]([NH2:48])[n:43][n:44][c:45]([Cl:47])[cH:46]1)[CH3:49].[CH3:99][C:100]#[N:101].[CH:50]1([P:51]([CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2-[c:64]2[c:65]([O:66][CH3:67])[cH:68][cH:69][cH:70][c:71]2[O:72][CH3:73])[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78]1.[K+:83].[K+:84].[O:94]1[CH2:95][CH2:96][CH2:97][CH2:98]1.[Pd+2:89]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15](-[c:45]4[n:44][n:43][c:42]([NH2:48])[c:41]([C:39]([N:38]([CH3:37])[CH3:49])=[O:40])[cH:46]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 57731532HCID 57731532, compound

Product 1

HCID 57731610HCID 57731610, compound

Sources & evidence

ORD record
ord-5d13885b9c8d404b911c6fbd2c8939c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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