Toluene → HCID 86618228, compound
Reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][c:19]2[c:23]1[O:22][CH2:21][O:20]2.[F:46][C:47]([CH:48]1[CH2:49][O:50]1)([F:51])[F:52].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1.[O:24]1[c:25]2[cH:26][cH:27][cH:28][c:29]([CH:30]=[N:31][c:32]3[c:33]4[cH:34][cH:35][c:36]([CH3:37])[n:38][c:39]4[cH:40][cH:41][cH:42]3)[c:43]2[O:44][CH2:45]1>>[NH2:1][c:2]1[c:3]2[cH:4][c:5]([CH:13]([c:15]3[cH:16][cH:17][cH:18][c:19]4[c:23]3[O:22][CH2:21][O:20]4)[C:48]3([C:47]([F:46])([F:51])[F:52])[CH2:49][O:50]3)[c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-51f010609435423191aca62689dac42f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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