Toluene → HCID 87950748, compound
Reaction equation
[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[N:30]1[C:31]2([c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[CH:32]([O:41][CH2:42][c:43]3[cH:44][c:45]([C:53]([F:54])([F:55])[F:56])[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]3)[CH2:33][CH2:34][CH:35]1[CH:36]([C:38](=[O:39])[NH2:40])[CH2:37]2.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([P:7]2(=[S:10])[S:8][P:9]([c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]3)(=[S:19])[S:20]2)[cH:21][cH:22]1.[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[S:10]=[C:38]([CH:36]1[CH:35]2[N:30]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[C:31]([c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)([CH:32]([O:41][CH2:42][c:43]3[cH:44][c:45]([C:53]([F:54])([F:55])[F:56])[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]3)[CH2:33][CH2:34]2)[CH2:37]1)[NH2:40]Participants
4
Sources & evidence
- ORD record
- ord-e3e42d5aca96474d8f852be4eed0db5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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