Acetonitrile → HCID 178474692, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH:9]([CH:10]([CH2:11][c:12]1[cH:13][c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]1)[NH:20][C:21]([CH3:22])=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][OH:33])=[O:34].[CH3:35][C:36]([CH2:37][CH2:38][O:39][CH:40]=[CH2:41])([CH3:42])[CH3:43].[CH3:52][C:53]#[N:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[I:44][N:45]1[C:46](=[O:47])[CH2:48][CH2:49][C:50]1=[O:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH:9]([CH:10]([CH2:11][c:12]1[cH:13][c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]1)[NH:20][C:21]([CH3:22])=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][O:33][CH:40]([O:39][CH2:38][CH2:37][C:36]([CH3:35])([CH3:42])[CH3:43])[CH2:41][I:44])=[O:34]Participants
6
Sources & evidence
- ORD record
- ord-228ad585029e4df6893de140c63aefcb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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