Hydrochloric Acid → 1-[4-(4-Heptylphenyl)benzoyl]benzotriazole 3-oxide
Reaction equation
[CH2:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:18]1[cH:19][cH:20][c:21](-[c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]2)[cH:22][cH:23]1.[CH2:34]([N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH3:44].[Cl:46][CH2:47][Cl:48].[ClH:33].[OH2:45].[OH:1][n:2]1[n:3][n:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[O-:1][n+:2]1[n:3][n:4]([C:28]([c:27]2[cH:26][cH:25][c:24](-[c:21]3[cH:20][cH:19][c:18]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[cH:23][cH:22]3)[cH:32][cH:31]2)=[O:29])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2Participants
7
Sources & evidence
- ORD record
- ord-0044cb6bfbbf4224a814e922a9cb74b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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