Acetonitrile → HCID 178498312, compound
Reaction equation
[CH2:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[O:45][C:46](=[O:47])[c:48]1[cH:49][c:50]([NH:54][C:55]([NH:56][CH2:57][C:58](=[O:59])[OH:60])=[O:61])[cH:51][cH:52][cH:53]1.[CH3:62][C:63]#[N:64].[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[c:16]1([CH:22]2[CH:23]([C:34](=[O:35])[O:36][CH3:37])[CH2:24][CH:25]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[NH:26]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[c:16]1([CH:22]2[CH:23]([C:34](=[O:35])[O:36][CH3:37])[CH2:24][CH:25]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[N:26]2[C:58]([CH2:57][NH:56][C:55]([NH:54][c:50]2[cH:49][c:48]([C:46]([O:45][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)=[O:47])[cH:53][cH:52][cH:51]2)=[O:61])=[O:59])[cH:17][cH:18][cH:19][cH:20][cH:21]1Participants
5
Sources & evidence
- ORD record
- ord-24c4998a5cc14061b4d645c62db3d379
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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