Toluene → HCID 86615988, compound
Reaction equation
[CH2:36]([P:37]([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[OH:16])[cH:8][cH:9]1)=[O:17].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cl:49][c:50]1[c:51]([CH3:57])[cH:52][c:53]([OH:56])[cH:54][n:55]1.[N:18]([C:19]([N:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1)=[O:26])=[N:27][C:28]([N:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1)=[O:35]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[O:16][c:53]2[cH:52][c:51]([CH3:57])[c:50]([Cl:49])[n:55][cH:54]2)[cH:8][cH:9]1)=[O:17]Participants
6
Sources & evidence
- ORD record
- ord-d7677ca4a1ed48c693f4c0f25dbab838
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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