Toluene → 1,2,3,5,6,7-Hexahydro-4-isocyanato-s-indacene
Reaction equation
[CH2:1]1[CH2:2][CH2:3][c:4]2[c:5]([NH2:13])[c:6]3[c:10]([cH:11][c:12]21)[CH2:9][CH2:8][CH2:7]3.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cl:21][C:22]([Cl:23])=[O:24].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1>>[CH2:1]1[CH2:2][CH2:3][c:4]2[c:5]([N:13]=[C:22]=[O:24])[c:6]3[c:10]([cH:11][c:12]21)[CH2:9][CH2:8][CH2:7]3Participants
6
Sources & evidence
- ORD record
- ord-da86e00ab87348319733603b9d25beea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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