Chloride → 2,6-Di-tert-butyl-4-[(pyrazin-2-yl)imino]cyclohexa-2,5-dien-1-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:10][C:9](=[O:11])[CH:8]=[C:7]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:6]1=[O:16].[Cl-:39].[Cl-:40].[Cl-:41].[Cl-:42].[Cl:35][CH:36]([Cl:37])[CH3:38].[NH2:17][c:18]1[n:19][cH:20][cH:21][n:22][cH:23]1.[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[Ti+4:43].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:10][C:9](=[N:17][c:18]2[n:19][cH:20][cH:21][n:22][cH:23]2)[CH:8]=[C:7]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:6]1=[O:16]Participants
8
Sources & evidence
- ORD record
- ord-accfa391cf254012afec7e2598a56adb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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