Toluene → 2-Butenedioic acid
Reaction equation
[C:23]([CH:24]=[CH:25][C:26](=[O:27])[O-:28])(=[O:29])[O-:30].[CH3:16][N:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:1][C:2]1=[N:8][c:7]2[c:6]([cH:12][cH:11][cH:10][cH:9]2)[S:5][c:4]2[c:3]1[cH:15][s:14][cH:13]2>>[C:23]([CH:24]=[CH:25][C:26](=[O:27])[OH:28])(=[O:29])[OH:30].[C:2]1([N:20]2[CH2:19][CH2:18][N:17]([CH3:16])[CH2:22][CH2:21]2)=[N:8][c:7]2[c:6]([cH:12][cH:11][cH:10][cH:9]2)[S:5][c:4]2[c:3]1[cH:15][s:14][cH:13]2Participants
6
Sources & evidence
- ORD record
- ord-418f447b80bc46d981d071bda27ce5ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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