Toluene → HCID 67177406, compound
Reaction equation
[C:48](#[N:49])[CH2:50][CH2:51][NH2:52].[CH2:31]1[CH2:35][O:34][CH2:33][CH2:32][O:36]1.[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[c:8]1[c:9]2[c:10]([n:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([NH2:18])[cH:19][cH:20]3)[n:13]1)[CH2:21][N:22]([c:25]1[n:26][cH:27][cH:28][cH:29][n:30]1)[CH2:23][CH2:24]2.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:44][C:45](=[O:46])[Cl:47]>>[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[c:8]1[c:9]2[c:10]([n:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([NH:18][C:31](=[O:36])[NH:52][CH2:51][CH2:50][C:48]#[N:49])[cH:19][cH:20]3)[n:13]1)[CH2:21][N:22]([c:25]1[n:26][cH:27][cH:28][cH:29][n:30]1)[CH2:23][CH2:24]2Participants
7
Sources & evidence
- ORD record
- ord-21ff6ff8037545919daf4809a4a3cd61
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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