Cyanide → HCID 10268983, compound
Reaction equation
[C-:38]#[N:39].[C-:41]#[N:42].[CH3:25][N:26]1[CH2:27][CH2:28][CH2:29][C:30]1=[O:31].[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:23][cH:24]1)[NH:6][c:7]1[n:8][cH:9][cH:10][cH:11][c:12]1[C:13]2([C:14]([CH3:15])([F:16])[F:17])[CH2:18][O:19][CH:20]([CH3:21])[CH3:22].[Zn+2:40].[Zn:43]>>[c:2]1([C:25]#[N:26])[cH:3][c:4]2[c:5]([cH:23][cH:24]1)[NH:6][c:7]1[n:8][cH:9][cH:10][cH:11][c:12]1[C:13]2([C:14]([CH3:15])([F:16])[F:17])[CH2:18][O:19][CH:20]([CH3:21])[CH3:22]Participants
7
Sources & evidence
- ORD record
- ord-133b6e4803ce4b07bbf702c7f8a942c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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