Acetate → HCID 178494594, compound
Reaction equation
[C:123]([O-:124])(=[O:125])[CH3:126].[C:128]([O-:129])(=[O:130])[CH3:131].[C:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)([c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)=[NH:63].[C:64](=[O:65])([O-:66])[O-:67].[CH3:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[CH3:132][CH2:133][O:134][C:135](=[O:136])[CH3:137].[Cs+:68].[Cs+:69].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:25][c:26]3[cH:27][c:28]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[c:29]([CH3:32])[cH:30][cH:31]3)[CH2:10][N:11]([CH2:14][CH2:15][N:16]3[CH2:17][CH:18]([CH2:22][O:23][CH3:24])[O:19][CH2:20][CH2:21]3)[CH2:12][CH2:13]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49].[OH2:138].[Pd+2:127].[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][c:81]3[c:82]([cH:83][cH:84][cH:85][cH:86]3)[c:87]2-[c:88]2[c:89]3[c:90]([cH:91][cH:92][cH:93][cH:94]3)[cH:95][cH:96][c:97]2[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:25][c:26]3[cH:27][c:28]([N:63]=[C:50]([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[c:29]([CH3:32])[cH:30][cH:31]3)[CH2:10][N:11]([CH2:14][CH2:15][N:16]3[CH2:17][CH:18]([CH2:22][O:23][CH3:24])[O:19][CH2:20][CH2:21]3)[CH2:12][CH2:13]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-629efb735ffc45edb4e0be85e4cde389
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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