Carbon Disulfide → 3-(2-ethoxyethyl)-2-[[4-(2-isothiocyanatoethyl)-1-piperazinyl]methyl]-3H-imidazo[4,5-b]pyridine
Reaction equation
[CH2:4]([CH3:5])[O:6][CH2:7][CH2:8][n:9]1[c:10]([CH2:18][N:19]2[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][NH2:27])[CH2:23][CH2:24]2)[n:11][c:12]2[c:13]1[n:14][cH:15][cH:16][cH:17]2.[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[S:1]=[C:2]=[S:3]>>[C:2](=[S:3])=[N:27][CH2:26][CH2:25][N:22]1[CH2:21][CH2:20][N:19]([CH2:18][c:10]2[n:9]([CH2:8][CH2:7][O:6][CH2:4][CH3:5])[c:13]3[c:12]([n:11]2)[cH:17][cH:16][cH:15][n:14]3)[CH2:24][CH2:23]1Participants
4
Sources & evidence
- ORD record
- ord-78a18f0c3cbf44ffac0375bc069cad4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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