Hexane → HCID 178443723, compound
Reaction equation
[CH2:13]([Li:14])[CH2:15][CH2:16][CH3:17].[CH3:1][C:2]([C:3]#[CH:4])([CH3:5])[O:6][CH:7]1[O:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:71][CH2:72][CH2:73][CH2:74][CH2:75][CH3:76].[O:18]1[CH:19]([O:24][CH:25]2[CH2:26][CH:27]([O:58][CH:59]3[O:60][CH2:61][CH2:62][CH2:63][CH2:64]3)[CH2:28][C:29]3=[CH:30][CH2:31][CH:32]4[CH:33]5[CH2:34][CH2:35][CH:36]([CH:37]([CH2:38][O:39][S:40]([c:41]6[cH:42][cH:43][c:44]([CH3:45])[cH:46][cH:47]6)(=[O:48])=[O:49])[CH3:50])[C:51]5([CH3:57])[CH2:52][CH2:53][CH:54]4[C:55]23[CH3:56])[CH2:20][CH2:21][CH2:22][CH2:23]1.[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1>>[CH3:1][C:2]([C:3]#[C:4][CH2:38][CH:37]([CH:36]1[CH2:35][CH2:34][CH:33]2[CH:32]3[CH2:31][CH:30]=[C:29]4[CH2:28][CH:27]([O:58][CH:59]5[O:60][CH2:61][CH2:62][CH2:63][CH2:64]5)[CH2:26][CH:25]([O:24][CH:19]5[O:18][CH2:23][CH2:22][CH2:21][CH2:20]5)[C:55]4([CH3:56])[CH:54]3[CH2:53][CH2:52][C:51]21[CH3:57])[CH3:50])([CH3:5])[O:6][CH:7]1[O:8][CH2:9][CH2:10][CH2:11][CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-efd9131ea6aa40f89dbcd90641916b48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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