P-Toluic Acid → HCID 73153961, compound
Reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:32][c:33]1[cH:34][cH:35][c:36]([C:39]([OH:40])=[O:41])[cH:37][cH:38]1.[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[NH2:42][CH:43]1[CH2:44][C:45]([OH:49])([C:50]#[C:51][c:52]2[cH:53][c:54]([Cl:58])[cH:55][cH:56][cH:57]2)[CH2:46][CH2:47][CH2:48]1.[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[CH3:32][c:33]1[cH:34][cH:35][c:36]([C:39](=[O:41])[NH:42][CH:43]2[CH2:44][C:45]([OH:49])([C:50]#[C:51][c:52]3[cH:53][c:54]([Cl:58])[cH:55][cH:56][cH:57]3)[CH2:46][CH2:47][CH2:48]2)[cH:37][cH:38]1Participants
6
Sources & evidence
- ORD record
- ord-04b24ccdf26749e9bbbfc9d19ac8fb7d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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