Hexane → HCID 21107210, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([C:22]#[CH:23])[cH:11][c:12]2[c:17]1[O:16][C:15]([CH3:18])([CH3:19])[CH2:14][C:13]2([CH3:20])[CH3:21].[CH2:36]([N:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[CH3:42].[CH3:24][O:25][C:26]([CH2:27][c:28]1[cH:29][cH:30][c:31]([I:34])[cH:32][cH:33]1)=[O:35].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cu:55][I:56].[Pd:57]([Cl:58])[Cl:59].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([C:22]#[C:23][c:31]2[cH:30][cH:29][c:28]([CH2:27][C:26]([O:25][CH3:24])=[O:35])[cH:33][cH:32]2)[cH:11][c:12]2[c:17]1[O:16][C:15]([CH3:18])([CH3:19])[CH2:14][C:13]2([CH3:20])[CH3:21]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-b0a804733e944153a7f7ebcd2fdda800
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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