Acetate → HCID 178442134, compound

HRID 1137091Notes

Reaction equation

HRID 1137091 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28]([B:31]3[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1.[CH3:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[CH3:44][O:45][C:46]([CH:47]([c:48]1[cH:49][cH:50][c:51]([Cl:54])[cH:52][cH:53]1)[NH:55][C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63].[CH:64]1([P:65]([CH:66]2[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2-[c:78]2[c:79]([O:80][CH3:81])[cH:82][cH:83][cH:84][c:85]2[O:86][CH3:87])[CH2:88][CH2:89][CH2:90][CH2:91][CH2:92]1.[K+:100].[K+:98].[K+:99].[O-:102][C:103]([CH3:104])=[O:105].[O-:106][C:107]([CH3:108])=[O:109].[OH2:110].[P:93]([O-:94])([O-:95])([O-:96])=[O:97].[Pd+2:101]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28](-[c:51]3[cH:50][cH:49][c:48]([CH:47]([C:46]([O:45][CH3:44])=[O:63])[NH:55][C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[cH:53][cH:52]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 577089262-[4-(1-{4-[3-(t-Butyldimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2-methyl-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneHCID 67065142Methyl 2-((tert-butoxycarbonyl)amino)-2-(4-chlorophenyl)acetate

Product 1

HCID 178442134HCID 178442134, compound

Sources & evidence

ORD record
ord-6c452b5911b5476fb6f2ead8d4fb7371
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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