Hexane → HCID 69076258, compound
Reaction equation
[CH2:33]([N:34]([CH2:35][CH3:36])[CH2:37][CH3:38])[CH3:39].[CH3:21][O:22][C:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([I:31])[cH:29][cH:30]1)=[O:32].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[c:7]([CH2:14][N:15]([CH3:16])[CH:17]2[CH2:18][CH2:19]2)[cH:8][c:9]([C:12]#[CH:13])[cH:10][cH:11]1)=[O:20].[Cu:52][I:53].[Pd:54]([Cl:55])[Cl:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[c:7]([CH2:14][N:15]([CH3:16])[CH:17]2[CH2:18][CH2:19]2)[cH:8][c:9]([C:12]#[C:13][c:28]2[cH:27][cH:26][c:25]([CH2:24][C:23]([O:22][CH3:21])=[O:32])[cH:30][cH:29]2)[cH:10][cH:11]1)=[O:20]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-b2f6e5e643e84cba894011a56b3049ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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