Toluene → HCID 10256022, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:14])[cH:9][c:10]([SH:13])[cH:11][cH:12]1)=[O:15].[CH2:37]([P:38]([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[F:16][C:17]([c:18]1[cH:19][cH:20][c:21](-[c:24]2[s:25][c:26]3[c:27]([n:28]2)[c:29]([CH2:33][OH:34])[cH:30][cH:31][cH:32]3)[cH:22][cH:23]1)([F:35])[F:36].[N:50]([C:51]([N:52]1[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1)=[O:58])=[N:59][C:60]([N:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1)=[O:67]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:14])[cH:9][c:10]([S:13][CH2:33][c:29]2[c:27]3[c:26]([s:25][c:24](-[c:21]4[cH:20][cH:19][c:18]([C:17]([F:16])([F:35])[F:36])[cH:23][cH:22]4)[n:28]3)[cH:32][cH:31][cH:30]2)[cH:11][cH:12]1)=[O:15]Participants
6
Sources & evidence
- ORD record
- ord-3f6c145b8a434d69b106e517b57373b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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