Toluene → HCID 54325121, compound
Reaction equation
[C:1]([O:2][CH:5]([CH:6]1[CH2:7][CH2:8][c:9]2[n:10]([c:11]3[cH:12][cH:13][c:14]([Cl:19])[cH:15][c:16]3[c:17]2[CH3:18])[C:20]1=[O:21])[c:22]1[n:23][cH:24][n:25]([C:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:26]1[CH3:27])(=[O:3])[CH3:4].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH:5](=[C:6]1[CH2:7][CH2:8][c:9]2[n:10]([c:11]3[cH:12][cH:13][c:14]([Cl:19])[cH:15][c:16]3[c:17]2[CH3:18])[C:20]1=[O:21])[c:22]1[n:23][cH:24][n:25]([C:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:26]1[CH3:27]Participants
3
Sources & evidence
- ORD record
- ord-cf1eaa5c1c954db7a99ba1a8a05cb886
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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