Toluene → HCID 18619142, compound
Reaction equation
[C:30]([CH:31]([OH:32])[CH3:33])(=[O:34])[O:35][CH3:36].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([OH:11])[n:7][nH:8][c:9]2[CH3:10])[cH:12][c:13](-[n:17]2[c:18](=[O:29])[n:19]([CH3:28])[c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[c:14]([F:16])[cH:15]1.[O:56]=[C:57]([O:58][CH:59]([CH3:60])[CH3:61])[N:62]=[N:63][C:64]([O:65][CH:66]([CH3:67])[CH3:68])=[O:69].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([O:11][CH:31]([C:30](=[O:34])[O:35][CH3:36])[CH3:33])[n:7][nH:8][c:9]2[CH3:10])[cH:12][c:13](-[n:17]2[c:18](=[O:29])[n:19]([CH3:28])[c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[c:14]([F:16])[cH:15]1Participants
8
Sources & evidence
- ORD record
- ord-927116fe5a2b45afaf16f8e65af88f39
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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