Carbon Disulfide → 1-(4-fluorophenylmethyl)-N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]1H-benzimidazol-2-amine
Reaction equation
[NH2:4][CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][CH:10]([NH:13][c:14]2[n:15][c:16]3[c:17]([n:18]2[CH2:19][c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[cH:27][cH:28][cH:29][cH:30]3)[CH2:11][CH2:12]1.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[S:1]=[C:2]=[S:3]>>[C:2](=[S:3])=[N:4][CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][CH:10]([NH:13][c:14]2[n:15][c:16]3[c:17]([n:18]2[CH2:19][c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[cH:27][cH:28][cH:29][cH:30]3)[CH2:11][CH2:12]1Participants
4
Sources & evidence
- ORD record
- ord-374a46c6e5694ae1880f01d325e51cb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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