Acetonitrile → HCID 9961922, compound
Reaction equation
[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].[CH3:68][C:69]#[N:70].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[F:35][c:36]1[cH:37][cH:38][c:39]([CH2:40][n:41]2[c:42]([NH:50][CH:51]3[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]3)[n:43][c:44]3[c:45]2[cH:46][cH:47][cH:48][cH:49]3)[cH:57][cH:58]1>>[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:54]3[CH2:53][CH2:52][CH:51]([NH:50][c:42]4[n:41]([CH2:40][c:39]5[cH:38][cH:37][c:36]([F:35])[cH:58][cH:57]5)[c:45]5[c:44]([n:43]4)[cH:49][cH:48][cH:47][cH:46]5)[CH2:56][CH2:55]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
5
Sources & evidence
- ORD record
- ord-7c70b9bad31745399dbe443129519f6c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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