Toluene → HCID 178460623, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH:8]([CH:9]=[CH:10][CH2:11][O:12][C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH3:32])[CH2:33][CH:34]([C:35]#[C:36][CH:37]([CH:38]([CH:39]([CH2:40][CH:41]([CH2:42][O:43][Si:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50])[CH3:51])[CH3:52])[O:53][Si:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])[CH3:61])[OH:62])([CH3:63])[CH3:64].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH:8]([CH:9]=[CH:10][CH2:11][O:12][C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH3:32])[CH2:33][CH:34]([CH:35]=[CH:36][CH:37]([CH:38]([CH:39]([CH2:40][CH:41]([CH2:42][O:43][Si:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50])[CH3:51])[CH3:52])[O:53][Si:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])[CH3:61])[OH:62])([CH3:63])[CH3:64]Participants
3
Sources & evidence
- ORD record
- ord-2f71296a209941c093f992a4fa472628
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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