Toluene → HCID 69206658, compound
Reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([c:40]2[cH:41][n:42][c:43]([NH2:46])[cH:44][cH:45]2)[CH2:38][CH2:39]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]2[c:11]([n:12][c:13]([S:16]([CH3:17])=[O:18])[n:14][cH:15]2)[n:19]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[c:20]1=[O:21].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]2[c:11]([n:12][c:13]([NH:46][c:43]3[n:42][cH:41][c:40]([N:37]4[CH2:36][CH2:35][N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:39][CH2:38]4)[cH:45][cH:44]3)[n:14][cH:15]2)[n:19]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[c:20]1=[O:21]Participants
4
Sources & evidence
- ORD record
- ord-dfc56285bb7d401196e65d76dc87b173
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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