Acetonitrile → HCID 69221815, compound
Reaction equation
[B-:65]([F:66])([F:67])([F:68])[F:69].[C:1]([O:2][C:3]([C:4]#[C:5][CH2:6][NH:7][CH2:8][CH:9]=[CH:10][CH2:11][O:12][C:13](=[O:14])[CH3:15])=[O:16])([CH3:17])([CH3:18])[CH3:19].[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH:29]2[CH:30]([CH2:31]1)[CH:32]([CH2:36][O:37][C:38]([CH3:39])=[O:40])[CH:33]([NH2:35])[CH2:34]2.[CH2:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[O:48][C:49](=[O:50])[NH:51][CH2:52][C:53](=[O:54])[OH:55].[CH3:87][C:88]#[N:89].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[n:70]1([O:71][C:72]([N:73]([CH3:74])[CH3:75])=[N+:76]([CH3:77])[CH3:78])[c:79]2[cH:80][cH:81][cH:82][cH:83][c:84]2[n:85][n:86]1>>[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH:29]2[CH:30]([CH2:31]1)[CH:32]([CH2:36][O:37][C:38]([CH3:39])=[O:40])[CH:33]([NH:35][C:53]([CH2:52][NH:51][C:49]([O:48][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:50])=[O:54])[CH2:34]2Participants
8
Sources & evidence
- ORD record
- ord-d01b71e103684d078096e35bb4066c99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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