Toluene → HCID 18538752, compound
Reaction equation
[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:34][S:35][c:36]1[cH:37][cH:38][c:39]([OH:40])[cH:41][cH:42]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH:20][CH:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[O:20]([CH:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]1)[c:39]1[cH:38][cH:37][c:36]([S:35][CH3:34])[cH:42][cH:41]1Participants
8
Sources & evidence
- ORD record
- ord-01386bf6b06b48d495881e3717efeb7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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