Chloride → 4-Methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
Reaction equation
[CH2:34]([OH:35])[CH2:36][CH3:37].[CH3:28][CH2:29][CH2:30][O-:31].[CH3:2][CH:3]1[N:4]=[C:5]2[N:6]([C:7]([Cl:20])=[N:8][c:9]3[c:10]2[cH:11][n:12][n:13]3-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH:21]1[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[Cl-:32].[Na+:33].[Na:1]>>[CH3:2][CH:3]1[N:4]=[C:5]2[N:6]([C:7]([O:31][CH2:30][CH2:29][CH3:28])=[N:8][c:9]3[c:10]2[cH:11][n:12][n:13]3-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH:21]1[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1Participants
7
Sources & evidence
- ORD record
- ord-bbe12e1ec24e467087880ce00be87b63
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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