Toluene → HCID 178455664, compound
Reaction equation
[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]2[nH:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[c:14](=[O:16])[c:15]12.[P:27]([O:28][c:29]1[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1)([S:39][CH2:40][CH2:41][CH2:42][CH3:43])([Cl:44])=[O:45]>>[O:1]([c:2]1[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]2[nH:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[c:14](=[O:16])[c:15]12)[P:27]([O:28][c:29]1[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1)([S:39][CH2:40][CH2:41][CH2:42][CH3:43])=[O:45]Participants
5
Sources & evidence
- ORD record
- ord-f6b45acd2743423c81c9472ec2f5e0ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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