Toluene → HCID 22132751, compound
Reaction equation
[CH2:35]([CH2:36][CH2:37][CH3:38])[c:39]1[cH:40][cH:41][c:42]([N:45]=[C:46]=[O:47])[cH:43][cH:44]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([N+:22]([O-:23])=[O:24])[cH:19][cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH:25][c:26]1[cH:27][c:28]([N+:29](=[O:30])[O-:31])[cH:32][cH:33][cH:34]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([NH:22][C:46]([NH:45][c:42]4[cH:41][cH:40][c:39]([CH2:35][CH2:36][CH2:37][CH3:38])[cH:44][cH:43]4)=[O:47])[cH:19][cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]Participants
5
Sources & evidence
- ORD record
- ord-d92815d82c3447ecad45d9baf38479c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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