Toluene → HCID 178470556, compound
Reaction equation
[CH2:49]1[CH2:50][CH2:51][C:52]2=[N:57][CH2:56][CH2:55][CH2:54][N:53]2[CH2:58][CH2:59]1.[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][CH:12]2[CH:13]([O:30][CH3:31])[CH2:14][N:15]([c:18]3[s:19][c:20]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:21]([CH2:23][OH:24])[n:22]3)[CH2:16][CH2:17]2)[nH:4][c:5]([CH3:8])[c:6]1[Cl:7].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)(=[O:40])[N:46]=[N+:47]=[N-:48])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[Cl:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][CH:12]2[CH:13]([O:30][CH3:31])[CH2:14][N:15]([c:18]3[s:19][c:20]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:21]([CH2:23][N:46]=[N+:47]=[N-:48])[n:22]3)[CH2:16][CH2:17]2)[nH:4][c:5]([CH3:8])[c:6]1[Cl:7]Participants
5
Sources & evidence
- ORD record
- ord-1514037d5a0945d0b2e772fca31aa0a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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