Toluene → HCID 13094166, compound
Reaction equation
[CH3:33][c:34]1[cH:35][cH:36][c:37]([S:38](=[O:39])(=[O:40])[OH:41])[cH:42][cH:43]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:1]=[C:2]1[CH2:3][CH2:4][C:5]([C:8]#[N:9])([c:10]2[n:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1.[c:16]1([C:22]2([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[C:2]1([N:25]2[CH2:24][CH2:23][C:22]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH2:27][CH2:26]2)=[CH:3][CH2:4][C:5]([C:8]#[N:9])([c:10]2[n:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1Participants
5
Sources & evidence
- ORD record
- ord-23866689743247fcb4818ebcaa9c3bc0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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