Ethanol → HCID 91150144, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:37][Si:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[CH3:44])[c:5]([CH:8]2[CH:9]([CH2:19][CH2:20][CH:21]([c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[O:29][Si:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])[C:10](=[O:18])[N:11]2[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:6][cH:7]1.[C:66](=[O:67])([O-:68])[O-:69].[CH3:45][C:46]1([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51][B:52]([c:53]2[cH:54][c:55]([P:59]([O:60][CH3:61])([O:62][CH3:63])=[O:64])[cH:56][cH:57][cH:58]2)[O:65]1.[CH3:72][CH2:73][OH:74].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[K+:70].[K+:71]>>[c:2]1(-[c:53]2[cH:54][c:55]([P:59]([O:60][CH3:61])([O:62][CH3:63])=[O:64])[cH:56][cH:57][cH:58]2)[cH:3][c:4]([O:37][Si:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[CH3:44])[c:5]([CH:8]2[CH:9]([CH2:19][CH2:20][CH:21]([c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[O:29][Si:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])[C:10](=[O:18])[N:11]2[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-9e205ad508b74f9a976445f6ed2dd601
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…