Hexane → HCID 58883450, compound
Reaction equation
[C:17]([CH3:18])(=[O:19])[O:20][CH2:21][O:22][C:23]([CH2:24][c:25]1[c:26]([F:32])[cH:27][c:28]([I:31])[cH:29][cH:30]1)=[O:33].[CH2:34]([N:35]([CH2:36][CH3:37])[CH2:38][CH3:39])[CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([C:14]#[CH:15])[cH:9][c:10]([C:12]#[CH:13])[cH:11]1)=[O:16].[Cu:53][I:54].[Pd:55]([Cl:56])[Cl:57].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([C:14]#[C:15][c:28]2[cH:27][c:26]([F:32])[c:25]([CH2:24][C:23]([O:22][CH2:21][O:20][C:17]([CH3:18])=[O:19])=[O:33])[cH:30][cH:29]2)[cH:9][c:10]([C:12]#[CH:13])[cH:11]1)=[O:16]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-a52c4fe2dde6423faac4ff2f51bf63d1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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