Toluene → HCID 57005319, compound
Reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1.[OH:1][c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][cH:9][c:10]([S:16](=[O:17])[CH3:18])[c:11]3[n:12][c:13]2[cH:14][cH:15]1.[P:31]([O:32][c:33]1[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]1)([S:40][c:41]1[cH:42][cH:43][c:44]([N+:47](=[O:48])[O-:49])[cH:45][cH:46]1)([Cl:50])=[O:51]>>[O:1]([c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][cH:9][c:10]([S:16](=[O:17])[CH3:18])[c:11]3[n:12][c:13]2[cH:14][cH:15]1)[P:31]([O:32][c:33]1[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]1)([S:40][c:41]1[cH:42][cH:43][c:44]([N+:47](=[O:48])[O-:49])[cH:45][cH:46]1)=[O:51]Participants
6
Sources & evidence
- ORD record
- ord-81014ccf125e4ddb84c1c1ec40a33c4b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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