Toluene → HCID 21712145, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:27])[c:10]([Cl:26])[cH:11][c:12]([F:25])[c:13]1-[c:14]1[n:15][n:16]([CH3:24])[c:17]([O:20][CH:21]([F:22])[F:23])[c:18]1[Cl:19].[CH2:57]([Cl:58])[Cl:59].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][O:36][c:37]1[cH:38][cH:39][c:40]([P:41]2(=[S:44])[S:42][P:43]([c:45]3[cH:46][cH:47][c:48]([O:49][CH3:50])[cH:51][cH:52]3)(=[S:53])[S:54]2)[cH:55][cH:56]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[S:44])[c:10]([Cl:26])[cH:11][c:12]([F:25])[c:13]1-[c:14]1[n:15][n:16]([CH3:24])[c:17]([O:20][CH:21]([F:22])[F:23])[c:18]1[Cl:19]Participants
5
Sources & evidence
- ORD record
- ord-acdd7b0c7bf24ea09fe057dcfa8bda8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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