Acetate → HCID 58293789, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[n:7][cH:8][cH:9][cH:10][c:11]1-[c:12]1[n:13][n:14][n:15][n:16]1-[c:17]1[c:18]([F:25])[c:19]([F:24])[c:20]([Br:23])[cH:21][cH:22]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:26]1([P:27]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[CH:39]2[CH2:30][CH2:29][CH2:28][CH2:43][CH2:44]2)[CH2:37][CH2:38][CH2:40][CH2:41][CH2:42]1.[K+:50].[K+:51].[K+:52].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[OH2:60].[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[Pd+2:61].[Pd:70].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:128]1([P:129]([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143][cH:144][cH:145][cH:146]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[n:7][cH:8][cH:9][cH:10][c:11]1-[c:12]1[n:13][n:14][n:15][n:16]1-[c:17]1[c:18]([F:25])[c:19]([F:24])[c:20]([CH:43]2[CH2:39][CH2:44]2)[cH:21][cH:22]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-828cb6d14cfd4b0cb617c008dabf8d94
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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