Toluene → HCID 67111591, compound
Reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2-[c:47]2[c:48]([O:49][CH3:50])[cH:51][cH:52][cH:53][c:54]2[O:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]1)[s:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:10]2.[Cl:69][CH2:70][Cl:71].[Cs+:31].[Cs+:32].[c:16]1([C:22](=[CH2:23])[B:24]([OH:25])[OH:26])[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[c:2]1([C:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[CH2:23])[cH:3][cH:4][c:5]2[c:6]([n:7]1)[s:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:10]2Participants
8
Sources & evidence
- ORD record
- ord-7210c58271d04b958018f1d097b5ff87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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