Toluene → HCID 178500239, compound
Reaction equation
[CH3:10][O:11][C:12]([CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH:19]1[CH:20]([CH:27]=[CH:28][CH2:29][CH:30]([O:31][CH3:32])[C:33]2([CH2:37][c:38]3[s:39][c:40]([Cl:43])[cH:41][cH:42]3)[CH2:34][CH2:35][CH2:36]2)[CH:21]([O:25][CH3:26])[CH2:22][C:23]1=[O:24])=[O:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[S:1]([O:2][CH3:3])([C:4]([F:5])([F:6])[F:7])(=[O:8])=[O:9]>>[CH3:10][O:11][C:12]([CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH:19]1[CH:20]([CH:27]=[CH:28][CH2:29][CH:30]([OH:31])[C:33]2([CH2:37][c:38]3[s:39][c:40]([Cl:43])[cH:41][cH:42]3)[CH2:34][CH2:35][CH2:36]2)[CH:21]([O:25][CH3:26])[CH2:22][C:23]1=[O:24])=[O:44]Participants
4
Sources & evidence
- ORD record
- ord-22a6dbfdc4794795a13e20fd4c58c224
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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