Iodoethane → 4-(Cyclohexylmethyl)-2-ethyl-5-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Reaction equation
[CH2:30]([CH3:31])[I:32].[CH3:33][C:34]#[N:35].[CH:1]1([CH2:7][n:8]2[c:9](=[O:29])[nH:10][n:11][c:12]2[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]3)[CH2:19][CH2:20]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([CH2:7][n:8]2[c:9](=[O:29])[n:10]([CH2:30][CH3:31])[n:11][c:12]2[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]3)[CH2:19][CH2:20]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-72d5619e4374427b98dba3a2b7edc75b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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