2-Nitrophenyl isocyanate → 1-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]-3-(2-nitrophenyl)urea
Reaction equation
[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH2:20])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1.[N+:23](=[O:24])([O-:25])[c:26]1[c:27]([N:32]=[C:33]=[O:34])[cH:28][cH:29][cH:30][cH:31]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH:20][C:33]([NH:32][c:27]3[c:26]([N+:23](=[O:24])[O-:25])[cH:31][cH:30][cH:29][cH:28]3)=[O:34])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1Participants
3
Sources & evidence
- ORD record
- ord-24b921ccc9e2481cb0e5311e7fb0808a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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