Toluene → HCID 72577484, compound
Reaction equation
[CH2:1]1[CH2:2][CH2:3][C:4]2=[N:9][CH2:8][CH2:7][CH2:6][N:5]2[CH2:10][CH2:11]1.[CH2:48]([Cl:49])[Cl:50].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[F:12][c:13]1[cH:14][cH:15][c:16]2[c:21]([cH:22]1)[CH:20]([OH:23])[CH2:19][CH2:18][CH2:17]2.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)(=[O:32])[N:38]=[N+:39]=[N-:40])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[F:12][c:13]1[cH:14][cH:15][c:16]2[c:21]([cH:22]1)[CH:20]([N:38]=[N+:39]=[N-:40])[CH2:19][CH2:18][CH2:17]2Participants
6
Sources & evidence
- ORD record
- ord-cd2a26ebb81e4d50b7edb1ac8f7e60a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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