Toluene → HCID 68925265, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][OH:16])[CH2:12][CH2:13]1.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cl:36][c:37]1[cH:38][cH:39][c:40]([N:43]([C:44]([CH3:45])=[O:46])[CH:47]2[CH2:48][CH:49]([CH3:66])[N:50]([C:57]([c:58]3[cH:59][cH:60][c:61]([OH:64])[cH:62][cH:63]3)=[O:65])[c:51]3[cH:52][cH:53][cH:54][cH:55][c:56]32)[cH:41][cH:42]1.[O:67]=[C:68]([O:69][CH2:70][CH3:71])[N:72]=[N:73][C:74]([O:75][CH2:76][CH3:77])=[O:78].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][O:16][c:61]2[cH:60][cH:59][c:58]([C:57]([N:50]3[CH:49]([CH3:66])[CH2:48][CH:47]([N:43]([c:40]4[cH:39][cH:38][c:37]([Cl:36])[cH:42][cH:41]4)[C:44]([CH3:45])=[O:46])[c:56]4[c:51]3[cH:52][cH:53][cH:54][cH:55]4)=[O:65])[cH:63][cH:62]2)[CH2:12][CH2:13]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-14850789d96d4aa295343d0d34f96e1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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