Acetonitrile → HCID 67334873, compound
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH:6]([N:7]1[C:8](=[O:26])[c:9]2[cH:10][cH:11][cH:12][c:13]([O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][Cl:25])[cH:22][cH:23]3)[c:14]2[CH2:15]1)[C:27]([NH2:28])=[O:29])=[O:30].[CH3:52][C:53]#[N:54].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:49][CH2:50][Cl:51].[N:31]1([C:37]([CH3:38])=[O:39])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH:6]([N:7]1[C:8](=[O:26])[c:9]2[cH:10][cH:11][cH:12][c:13]([O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][N:34]4[CH2:33][CH2:32][N:31]([C:37]([CH3:38])=[O:39])[CH2:36][CH2:35]4)[cH:22][cH:23]3)[c:14]2[CH2:15]1)[C:27]([NH2:28])=[O:29])=[O:30]Participants
6
Sources & evidence
- ORD record
- ord-c979c70e9ce84ed3bd05f127f9543268
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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