Toluene → HCID 178504499, compound
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[CH:17]([c:18]1[cH:19][c:20]([NH2:29])[cH:21][cH:22][c:23]1[O:24][C:25]([F:26])([F:27])[F:28])[O:30][SiH:31]([CH3:32])[CH3:33].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[CH:43]1([c:49]2[cH:50][cH:51][c:52]([NH:55][CH2:56][c:57]3[cH:58][cH:59][c:60]([C:61](=[O:62])[NH:63][c:64]4[n:65][n:66][nH:67][n:68]4)[cH:69][cH:70]3)[cH:53][cH:54]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[Cl:1][C:2]([Cl:3])([O:4][C:5]([O:6][C:7]([Cl:8])([Cl:9])[Cl:10])=[O:11])[Cl:12].[Cl:71][CH2:72][Cl:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78]>>[C:5](=[O:11])([NH:29][c:20]1[cH:19][c:18]([CH:17]([C:13]([CH3:14])([CH3:15])[CH3:16])[O:30][SiH:31]([CH3:32])[CH3:33])[c:23]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:21]1)[N:55]([c:52]1[cH:51][cH:50][c:49]([CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:54][cH:53]1)[CH2:56][c:57]1[cH:58][cH:59][c:60]([C:61](=[O:62])[NH:63][c:64]2[n:65][n:66][nH:67][n:68]2)[cH:69][cH:70]1Participants
8
Sources & evidence
- ORD record
- ord-7b6bf9dd79e640f8a360d489a26e2b31
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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