Toluene → HCID 67177376, compound
Reaction equation
[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]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][n:28][cH:29][cH:30]1)[CH2:23][CH2:24]2.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:44][C:45]([Cl:46])=[O:47].[NH2:48][c:49]1[n:50][o:51][cH:52][cH:53]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]([NH:18][C:45](=[O:47])[NH:48][c:49]4[n:50][o:51][cH:52][cH:53]4)[cH:19][cH:20]3)[n:13]1)[CH2:21][N:22]([c:25]1[n:26][cH:27][n:28][cH:29][cH:30]1)[CH2:23][CH2:24]2Participants
7
Sources & evidence
- ORD record
- ord-f214ba62e85a4810b108705376c672bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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