Acetonitrile → HCID 44815360, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](=[N:14][C:15](=[S:16])[c:17]2[c:18]([O:24][CH3:25])[cH:19][cH:20][c:21]([Cl:23])[cH:22]2)[s:7][c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:9]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37]#[N:38].[NH2:26][C:27]#[N:28]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](=[N:14][C:15]([c:17]2[c:18]([O:24][CH3:25])[cH:19][cH:20][c:21]([Cl:23])[cH:22]2)=[N:28][C:27]#[N:26])[s:7][c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:9]1Participants
5
Sources & evidence
- ORD record
- ord-bb6fd8741aa1469d90b0b228903068ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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