Toluene → HCID 178459643, compound
Reaction equation
[CH2:1]([SnH:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH2:26]([CH:27]=[CH2:28])[O:29][C:30](=[O:31])[N:32]1[CH:33]([O:56][SiH:57]([CH3:58])[CH3:59])[CH:34]([C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:35][CH:36]1[CH:37]([O:38][C:39]([S:40][CH3:41])=[S:42])[c:43]1[cH:44][n:45]2[c:46]([s:47]1)[cH:48][n:49][c:50]2[Cl:51].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[N:14]([C:15]([CH3:16])([CH3:17])[C:18]#[N:19])=[N:20][C:21]([CH3:22])([CH3:23])[C:24]#[N:25]>>[CH2:26]([CH:27]=[CH2:28])[O:29][C:30](=[O:31])[N:32]1[CH:33]([O:56][SiH:57]([CH3:58])[CH3:59])[CH:34]([C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:35][CH:36]1[CH2:37][c:43]1[cH:44][n:45]2[c:46]([s:47]1)[cH:48][n:49][c:50]2[Cl:51]Participants
6
Sources & evidence
- ORD record
- ord-2af783fa777046b2a47c35673624dc05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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