Toluene → HCID 68505994, compound
Reaction equation
[CH3:54][NH2:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:1][C:2](=[O:3])[c:4]1[c:5]([O:48][CH2:49][CH2:50][CH2:51][O:52][CH3:53])[cH:6][c:7]([CH2:8][O:9][CH:10]2[CH2:11][N:12]([C:36](=[O:37])[O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:13][CH2:14][CH:15]2[c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][CH2:25][O:26][CH2:27][c:28]3[c:29]([O:34][CH3:35])[cH:30][cH:31][cH:32][cH:33]3)[cH:20][cH:21]2)[cH:46][cH:47]1>>[C:2](=[O:3])([c:4]1[c:5]([O:48][CH2:49][CH2:50][CH2:51][O:52][CH3:53])[cH:6][c:7]([CH2:8][O:9][CH:10]2[CH2:11][N:12]([C:36](=[O:37])[O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:13][CH2:14][CH:15]2[c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][CH2:25][O:26][CH2:27][c:28]3[c:29]([O:34][CH3:35])[cH:30][cH:31][cH:32][cH:33]3)[cH:20][cH:21]2)[cH:46][cH:47]1)[NH:55][CH3:54]Participants
4
Sources & evidence
- ORD record
- ord-8f058967dcee4f4cb4ac34bf02e82c2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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