Toluene → HCID 178449360, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][CH2:9][CH3:10])[NH:11][C:12](=[O:13])[CH:14]1[CH:15]([C:38]([NH:39][CH:40]([CH:41]([CH3:42])[CH3:43])[C:44]([NH:45][CH:46]([C:47](=[O:48])[O:49][CH3:50])[CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)=[O:57])=[O:58])[CH2:16][CH:17]([O:19][c:20]2[cH:21][c:22](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[n:23][c:24]3[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]23)[CH2:18]1)=[O:59].[CH2:60]([SiH:61]([CH2:62][CH3:63])[CH2:64][CH3:65])[CH3:66].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:74][CH2:75][Cl:76].[OH:77][C:78]([C:79]([F:80])([F:81])[F:82])=[O:83]>>[O:5]=[C:6]([CH:7]([CH2:8][CH2:9][CH3:10])[NH:11][C:12](=[O:13])[CH:14]1[CH:15]([C:38]([NH:39][CH:40]([CH:41]([CH3:42])[CH3:43])[C:44]([NH:45][CH:46]([C:47](=[O:48])[O:49][CH3:50])[CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)=[O:57])=[O:58])[CH2:16][CH:17]([O:19][c:20]2[cH:21][c:22](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[n:23][c:24]3[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]23)[CH2:18]1)[OH:59]Participants
6
Sources & evidence
- ORD record
- ord-962ebbab56b84266870f700e0e460097
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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