Toluene → HCID 69481808, compound
Reaction equation
[CH3:46][N:47]([CH3:48])[c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][OH:13])([CH3:14])[OH:15])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH:31]=[N:32][N:33]2[CH2:34][CH2:35][N:36]([C:39](=[O:40])[Cl:41])[CH2:37][CH2:38]2)[cH:42][cH:43]1)([F:44])[F:45]>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][C:39]([N:36]2[CH2:35][CH2:34][N:33]([N:32]=[CH:31][c:30]3[cH:29][cH:28][c:27]([C:26]([F:25])([F:44])[F:45])[cH:43][cH:42]3)[CH2:38][CH2:37]2)=[O:40])([CH3:14])[OH:15])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1Participants
7
Sources & evidence
- ORD record
- ord-04f9e4368fd342859511b4467e62489c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…