Acetonitrile → HCID 66612100, compound
Reaction equation
[C:49](=[O:50])([O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[N:56]1[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]1.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH3:69][C:70]#[N:71].[Cl:1][CH:2]([C:3]([F:4])([F:5])[F:6])[c:7]1[cH:8][c:9](-[c:23]2[n:24][c:25]([N:30]([CH2:31][c:32]3[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]3)[CH2:40][c:41]3[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[n:26][c:27]([CH3:29])[n:28]2)[c:10]([NH:13][c:14]2[cH:15][n:16][c:17]([O:21][CH3:22])[c:18]([F:20])[cH:19]2)[n:11][cH:12]1>>[CH:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[cH:8][c:9](-[c:23]2[n:24][c:25]([N:30]([CH2:31][c:32]3[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]3)[CH2:40][c:41]3[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[n:26][c:27]([CH3:29])[n:28]2)[c:10]([NH:13][c:14]2[cH:15][n:16][c:17]([O:21][CH3:22])[c:18]([F:20])[cH:19]2)[n:11][cH:12]1)[N:59]1[CH2:58][CH2:57][N:56]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:61][CH2:60]1Participants
5
Sources & evidence
- ORD record
- ord-4836f09cb41043c6b0cb6c4b980c00a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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