Toluene → HCID 77255064, compound
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][CH:9]1[CH2:10][N:11]([c:14]2[c:15]([CH:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH3:32])[c:16]([CH3:23])[n:17][c:18]3[n:19]2[n:20][cH:21][cH:22]3)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH2:61]([N:62]([CH2:63][CH3:64])[CH2:65][CH3:66])[CH3:67].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:47][c:48]1[cH:49][cH:50][c:51]([S:54](=[O:55])(=[O:56])[Cl:57])[cH:52][cH:53]1.[Cl:58][CH2:59][Cl:60].[Cl:68][CH2:69][Cl:70].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[NH:8]([CH:9]1[CH2:10][N:11]([c:14]2[c:15]([CH:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH3:32])[c:16]([CH3:23])[n:17][c:18]3[n:19]2[n:20][cH:21][cH:22]3)[CH2:12][CH2:13]1)[S:54]([c:51]1[cH:50][cH:49][c:48]([Cl:47])[cH:53][cH:52]1)(=[O:55])=[O:56]Participants
7
Sources & evidence
- ORD record
- ord-2781c7a97a8145a9a9b9625950bfeb94
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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