Toluene → HCID 178457920, compound
Reaction equation
[CH2:41]([CH2:42][CH3:43])[N:44]=[C:45]=[O:46].[CH2:47]1[N:48]2[CH2:49][CH2:50][N:51]([CH2:52][CH2:53]2)[CH2:54]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([O:14][CH2:15][CH:16]([NH:17][C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:37](=[O:38])[O:39][CH3:40])[cH:11][cH:12][cH:13]2)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([O:14][CH2:15][CH:16]([NH:17][C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:37](=[O:38])[O:39][CH3:40])[cH:11][cH:12][cH:13]2)[cH:5][cH:6][cH:7]1)[C:45]([NH:44][CH2:41][CH2:42][CH3:43])=[O:46]Participants
5
Sources & evidence
- ORD record
- ord-5aa44de996a845c69b36acd8c20ea535
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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