Acetonitrile → HCID 77371533, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[CH:4]1[C:5](=[O:56])[CH2:6][CH2:7][CH:8]([CH3:55])[CH:9]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:52][CH3:53])[CH:48]([OH:51])[CH2:49][CH2:50]2)[CH3:54])[O:10][C:11](=[O:42])[CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][N:17]2[C:18](=[O:41])[C:19](=[O:40])[C:20]2([OH:39])[CH:21]([CH3:38])[CH2:22][CH:23]([O:36][CH3:37])[CH:24]([CH:25]([O:33][CH3:34])[CH2:26][CH:27]([CH3:32])[CH2:28][C:29]([CH3:31])=[CH:30]1)[O:35]2.[CH2:57]([N:58]([S:59]([F:60])([F:61])[F:63])[CH2:62][CH3:64])[CH3:65].[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:67][C:68]#[N:69].[FH:66]>>[CH2:1]([CH:2]=[CH2:3])[CH:4]1[C:5](=[O:56])[CH2:6][CH2:7][CH:8]([CH3:55])[CH:9]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:52][CH3:53])[CH:48]([F:63])[CH2:49][CH2:50]2)[CH3:54])[O:10][C:11](=[O:42])[CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][N:17]2[C:18](=[O:41])[C:19](=[O:40])[C:20]2([OH:39])[CH:21]([CH3:38])[CH2:22][CH:23]([O:36][CH3:37])[CH:24]([CH:25]([O:33][CH3:34])[CH2:26][CH:27]([CH3:32])[CH2:28][C:29]([CH3:31])=[CH:30]1)[O:35]2Participants
6
Sources & evidence
- ORD record
- ord-3f317827e57a4f54b2a6ac11e68a92d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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