Acetate → HCID 44199211, compound

HRID 2314665Notes

Reaction equation

HRID 2314665 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]2[c:24]([CH3:38])[c:25]([B:29]3[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]3)[cH:26][cH:27][cH:28]2)[cH:39][cH:40]1.[C:78]([O-:79])(=[O:80])[CH3:81].[C:83]([O-:84])(=[O:85])[CH3:86].[CH2:88]([OH:89])[CH2:90][CH2:91][CH3:92].[CH:49]1([P:50]([CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2-[c:63]2[c:64]([O:65][CH3:66])[cH:67][cH:68][cH:69][c:70]2[O:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1.[Cl:1][c:2]1[cH:3][c:4]([NH2:11])[c:5]2[n:6]([n:7]1)[cH:8][cH:9][n:10]2.[K+:46].[K+:47].[K+:48].[OH2:87].[P:41]([O-:42])([O-:43])([O-:44])=[O:45].[Pd+2:82]>>[c:2]1(-[c:25]2[c:24]([CH3:38])[c:23]([NH:22][C:20]([c:19]3[cH:18][cH:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:40][cH:39]3)=[O:21])[cH:28][cH:27][cH:26]2)[cH:3][c:4]([NH2:11])[c:5]2[n:6]([n:7]1)[cH:8][cH:9][n:10]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 2631-ButanolHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 57786732HCID 57786732, compoundHCID 587289934-(tert-Butyl)-N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide

Product 1

HCID 44199211HCID 44199211, compound

Sources & evidence

ORD record
ord-59e8481a57ab4291b5c27a52caaa9d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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