Acetonitrile → HCID 68670404, compound
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([C:26](=[O:27])[OH:28])[CH2:24][CH2:25]1.[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH3:60][C:61]#[N:62].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[F:29][c:30]1[c:31](-[c:42]2[n:43][c:44]3[c:45]([nH:46]2)[cH:47][cH:48][cH:49][cH:50]3)[cH:32][c:33]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:34][cH:35]1>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([C:26](=[O:28])[N:39]2[CH2:38][CH2:37][N:36]([c:33]3[cH:32][c:31](-[c:42]4[nH:43][c:44]5[c:45]([n:46]4)[cH:47][cH:48][cH:49][cH:50]5)[c:30]([F:29])[cH:35][cH:34]3)[CH2:41][CH2:40]2)[CH2:24][CH2:25]1Participants
6
Sources & evidence
- ORD record
- ord-561e1e14a4c545afad15e2aff5a75fc1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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