Toluene → HCID 15410718, compound
Reaction equation
[CH3:1][N:2]([c:3]1[c:4]([NH2:9])[cH:5][cH:6][cH:7][cH:8]1)[c:10]1[cH:11][c:12]2[c:17]([cH:18][cH:19]1)[C:16]([CH3:20])([CH3:21])[CH2:15][CH2:14][C:13]2([CH3:22])[CH3:23].[CH3:24][O:25][C:26]([c:27]1[cH:28][cH:29][c:30]([C:31]([OH:32])=[O:33])[cH:34][cH:35]1)=[O:36].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[P:37]([Cl:38])([Cl:39])([Cl:40])=[O:41]>>[CH3:1][N:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[N:9]=[C:31]([c:30]2[cH:29][cH:28][c:27]([C:26]([O:25][CH3:24])=[O:36])[cH:35][cH:34]2)[c:19]2[c:10]1[cH:11][c:12]1[c:17]([cH:18]2)[C:16]([CH3:20])([CH3:21])[CH2:15][CH2:14][C:13]1([CH3:22])[CH3:23]Participants
6
Sources & evidence
- ORD record
- ord-af5709a56bb048a8981bea95ff50deff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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