Acetonitrile → HCID 18464503, compound
Reaction equation
[CH2:36]([CH3:37])[O:38][CH2:39][CH2:40][n:41]1[c:42]([N:50]2[CH2:51][CH2:52][NH:53][CH2:54][CH2:55][CH2:56]2)[n:43][c:44]2[c:45]1[cH:46][cH:47][cH:48][cH:49]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:27])[C:9]([CH2:12][CH2:13][O:14][S:15]([CH3:16])(=[O:17])=[O:18])([CH2:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:10][CH2:11]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32].[CH3:66][C:67]#[N:68].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[IH:35]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:27])[C:9]([CH2:12][CH2:13][N:53]3[CH2:52][CH2:51][N:50]([c:42]4[n:41]([CH2:40][CH2:39][O:38][CH2:36][CH3:37])[c:45]5[c:44]([n:43]4)[cH:49][cH:48][cH:47][cH:46]5)[CH2:56][CH2:55][CH2:54]3)([CH2:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:10][CH2:11]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32]Participants
6
Sources & evidence
- ORD record
- ord-20077df886af4348961bac59dc811209
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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