Acetonitrile → HCID 178436487, compound
Reaction equation
[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43]([NH:44][C:45]12[CH:46]([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[NH:47][CH2:48][CH:49]1[CH2:50]2)=[O:57].[CH2:67]([Cl:68])[Cl:69].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:70][C:71]#[N:72].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[Cl:26][C:27]([Cl:28])([O:29][C:30]([O:31][C:32]([Cl:33])([Cl:34])[Cl:35])=[O:36])[Cl:37].[F:8][C:9]([c:10]1[cH:11][c:12]([CH:20]([CH3:21])[NH:22][CH3:23])[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)([F:24])[F:25]>>[F:8][C:9]([c:10]1[cH:11][c:12]([CH:20]([CH3:21])[N:22]([CH3:23])[C:30](=[O:36])[N:47]2[CH:46]([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[C:45]3([NH:44][C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:57])[CH:49]([CH2:48]2)[CH2:50]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)([F:24])[F:25]Participants
8
Sources & evidence
- ORD record
- ord-f57c8871a07e4980ac327e41f2f83ee6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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