Acetonitrile → HCID 178523240, compound
Reaction equation
[CH3:58][C:59]#[N:60].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH:8]([OH:9])[CH:10]1[CH2:11][CH2:12]1)[OH:13])[CH2:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:21][c:22]1[n:23][cH:24][n:25]([C:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:26]1.[n:46]1[c:47]([C:55](=[O:56])[OH:57])[nH:48][c:49]2[c:50]1[cH:51][cH:52][cH:53][cH:54]2>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH:8]([OH:9])[CH:10]1[CH2:11][CH2:12]1)[OH:13])[CH2:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:21][c:22]1[n:23][cH:24][n:25]([C:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:26]1)[C:55]([c:47]1[n:46][c:50]2[c:49]([nH:48]1)[cH:54][cH:53][cH:52][cH:51]2)=[O:56]Participants
4
Sources & evidence
- ORD record
- ord-cddeb18a3d074103977bba138f83fad6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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